chempirical

(3S,4S)-4-(Furan-2-yl)pyrrolidine-3-carboxylic acid

C9H11NO3CAS 959579-57-8181.19 g/mol

Open in Covalent MOL file
NHOHOO
Carboxylic acidSecondary amine

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
logP
0.67Crippen estimate
Polar surface area
62.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
959579-57-8
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=CO2
InChIKey
KMTSLALPZKTAJM-RNFRBKRXSA-N
InChI
InChI=1S/C9H11NO3/c11-9(12)7-5-10-4-6(7)8-2-1-3-13-8/h1-3,6-7,10H,4-5H2,(H,11,12)/t6-,7-/m1/s1

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Work with (3S,4S)-4-(Furan-2-yl)pyrrolidine-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid652971-46-562 % similar (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid937692-64-349 % similar 3-Amino-3-(furan-2-yl)propanoic acid73456-99-243 % similar D-2-Furylalanine110772-46-842 % similar 3-Furan-2-ylalanine127682-08-042 % similar cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-840 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-240 % similar (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid261896-39-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1

Elsewhere

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