(2S)-2-[(3,4,5-Trimethoxybenzoyl)amino]propanoic acid

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CAS
93709-67-2
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Purity
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Catalog Number

ACM93709672

Product Name

(2S)-2-[(3,4,5-Trimethoxybenzoyl)amino]propanoic acid

Structure

CAS

93709-67-2

What is the molecular formula of the compound?

The molecular formula of the compound is C13H17NO6.

What are the synonyms of the compound?

The synonyms of the compound include:
93709-67-2
(2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
L-Alanine,N-(3,4,5-trimethoxybenzoyl)-
(2S)-2-[(3,4,5-trimethoxyphenyl)formamido]propanoic acid
N-(3,4,5-trimethoxybenzoyl)alanine

What is the molecular weight of the compound?

The molecular weight of the compound is 283.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H17NO6/c1-7(13(16)17)14-12(15)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-7H,1-4H3,(H,14,15)(H,16,17)/t7-/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is LYDVPBQLBMIUQN-ZETCQYMHSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C[C@@H](C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.1.

How many hydrogen bond donor and acceptor counts does the compound have?

The compound has 2 hydrogen bond donor counts and 6 hydrogen bond acceptor counts.

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