(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

C12H15NO3 — CID 67874510

IUPAC(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CC[C@H](C(=O)O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyNQDZIUKATYIJFZ-WDEREUQCSA-N
MW221.26 g/mol
LogP1.57
Rot. Bonds3

About (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 67874510) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID67874510
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CC[C@H](C(=O)O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyNQDZIUKATYIJFZ-WDEREUQCSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 175831393
6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
CID 112574328
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(4R,6S)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 933252
4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 3256462
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid (CID 67874510) is (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid is COc1ccc([C@@H]2CC[C@H](C(=O)O)N2)cc1.
What is the InChIKey of (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NQDZIUKATYIJFZ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid?
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67874510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).