CAS
959580-94-0 Purity
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959580-94-0 Purity
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trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
CAS
959581-02-3
Catalog Number
ACM959581023
Category
Other Products
Molecular Weight
309.332703 [g/mol]
Molecular Formula
C16H20FNO4
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Specification
Synonyms
959581-02-3, SureCN13858400, Trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, A845516, Boc-(trans-4-(2-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, 1-tert-butoxycarbonyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid, 4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid, 4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
IUPAC Name
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI Key
LNANJBYDRSFKDR-UHFFFAOYSA-N
Exact Mass
309.13800
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula is C16H20FNO4.
What is the molecular weight of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight is 309.33 g/mol.
What is the IUPAC Name of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC Name is (3S,4R)-4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the InChI of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChI is InChI=1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m0/s1.
What is the InChIKey of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LNANJBYDRSFKDR-NWDGAFQWSA-N.
What is the Canonical SMILES of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The Canonical SMILES is CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2F.
How many hydrogen bond donor counts are there in trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
There are 5 hydrogen bond acceptor counts.
What is the exact mass of trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid?
The exact mass is 309.13763628 g/mol.
Is trans-1-Boc-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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