(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid

C14H16ClNO4 — CID 124700128

IUPAC(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1
InChIInChI=1S/C14H16ClNO4/c15-12-4-2-1-3-11(12)8-20-9-13(17)16-6-5-10(7-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)/t10-/m1/s1
InChIKeyLWXHBKDHDFUKED-SNVBAGLBSA-N
MW297.74 g/mol
LogP1.79
Rot. Bonds5

About (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid

(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 124700128) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID124700128
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1
InChIInChI=1S/C14H16ClNO4/c15-12-4-2-1-3-11(12)8-20-9-13(17)16-6-5-10(7-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)/t10-/m1/s1
InChIKeyLWXHBKDHDFUKED-SNVBAGLBSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-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

1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 119564197
1-[2-(2-iodophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533907
1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide
CID 95137545
2-[(2-chlorophenyl)methoxy]-1-[(3R)-3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 124882753
1-[2-(4-bromo-2-chlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030929
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354951

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid (CID 124700128) is (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LWXHBKDHDFUKED-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-12-4-2-1-3-11(12)8-20-9-13(17)16-6-5-10(7-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124700128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).