Fmoc-L-aspartic acid beta-tert-butyl ester

• CAS: 71989-14-5
• Catalog Number: ACM71989145
• Category: Other Products
• Molecular Weight: 411.45
• Molecular Formula: C23H25NO6
• Synonyms: N-α-Fmoc-L-aspartic acid β-tert butyl ester
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
• SMILES: CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• InChI: InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
• InChI Key: FODJWPHPWBKDON-IBGZPJMESA-N
• Boiling Point: 530.45 °C
• Melting Point: 148-150 °C (dec.)
• Density: 1.25 g/ml
• Appearance: White powder
• Hazard Statements: Xi
• pKa: 3.57±0.23
• Refractive Index: -25 ° (C=1, DMF)
• Safety Description: 24/25-36/37/39-27-26
• Solubility In Water: Slightly

Custom Q&A

What is the molecular formula of Fmoc-L-aspartic acid beta-tert-butyl ester?

The molecular formula of Fmoc-L-aspartic acid beta-tert-butyl ester is C23H25NO6.

What is the molecular weight of Fmoc-L-aspartic acid beta-tert-butyl ester?

The molecular weight of Fmoc-L-aspartic acid beta-tert-butyl ester is 411.4 g/mol.

What is the IUPAC name of Fmoc-L-aspartic acid beta-tert-butyl ester?

The IUPAC name of Fmoc-L-aspartic acid beta-tert-butyl ester is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

What is the InChIKey of Fmoc-L-aspartic acid beta-tert-butyl ester?

The InChIKey of Fmoc-L-aspartic acid beta-tert-butyl ester is FODJWPHPWBKDON-IBGZPJMESA-N.

How many hydrogen bond donor counts are there in Fmoc-L-aspartic acid beta-tert-butyl ester?

There are 2 hydrogen bond donor counts in Fmoc-L-aspartic acid beta-tert-butyl ester.

How many hydrogen bond acceptor counts are there in Fmoc-L-aspartic acid beta-tert-butyl ester?

There are 6 hydrogen bond acceptor counts in Fmoc-L-aspartic acid beta-tert-butyl ester.

What is the XLogP3-AA value of Fmoc-L-aspartic acid beta-tert-butyl ester?

The XLogP3-AA value of Fmoc-L-aspartic acid beta-tert-butyl ester is 3.5.

What is the topological polar surface area of Fmoc-L-aspartic acid beta-tert-butyl ester?

The topological polar surface area of Fmoc-L-aspartic acid beta-tert-butyl ester is 102 Ų.

How many rotatable bond counts are there in Fmoc-L-aspartic acid beta-tert-butyl ester?

There are 9 rotatable bond counts in Fmoc-L-aspartic acid beta-tert-butyl ester.

When was the Fmoc-L-aspartic acid beta-tert-butyl ester created and last modified?

Fmoc-L-aspartic acid beta-tert-butyl ester was created on 2005-07-19 and last modified on 2023-12-30.

Synthetic Use

Upstream Synthesis Route 1

• 144120-52-5

• 71989-14-5

Reference: [1] Synlett, 2014, vol. 25, # 16, p. 2319 - 2322

Upstream Synthesis Route 2

• 82911-69-1
• 3057-74-7

• 71989-14-5

Reference: [1] Synthetic Communications, 2009, vol. 39, # 11, p. 2022 - 2031
[2] Chemical and Pharmaceutical Bulletin, 1996, vol. 44, # 11, p. 2189 - 2191

Downstream Synthesis Route 1

• 71989-14-5

• 136083-57-3

Reference: [1] Chemistry - A European Journal, 2015, vol. 21, # 31, p. 11014 - 11016
[2] Journal of Peptide Science, 2010, vol. 16, # 3, p. 159 - 164
[3] Organic Letters, 2012, vol. 14, # 24, p. 6346 - 6349

Downstream Synthesis Route 2

• 20866-48-2
• 35661-40-6
• 71989-14-5
• 125238-99-5

• 110116-75-1

Reference: [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

* For details of the synthesis route, please refer to the original source to ensure accuracy.