2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid

C13H16ClNO2 — CID 75371969

IUPAC2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-6-2-1-4-10(12)8-11-5-3-7-15(11)9-13(16)17/h1-2,4,6,11H,3,5,7-9H2,(H,16,17)
InChIKeyPJDHKIBKWZGLMJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid

2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 75371969) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
PubChem CID75371969
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-6-2-1-4-10(12)8-11-5-3-7-15(11)9-13(16)17/h1-2,4,6,11H,3,5,7-9H2,(H,16,17)
InChIKeyPJDHKIBKWZGLMJ-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(((2-Chlorophenyl)methyl)(ethyl)amino)acetic acid hydrochloride
CID 102555145
N-[2-(2-chlorophenyl)ethyl]glycine
CID 13236090
(s)-1-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid
CID 40466560
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid
CID 97081999
2-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 99784109
2-[2-(4-Chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 100637475
3-{2-[(2-Chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl}propanoic acid hydrochloride
CID 75371966
2-[[3-(3-chloro-5-fluorophenyl)-4-[(2S)-1-methylpyrrolidin-2-yl]butyl]-methylamino]acetic acid
CID 179073258
[(2-Chloro-benzyl)-ethyl-amino]-acetic acid
CID 39247201
[(2-Chloro-6-fluoro-benzyl)-methyl-amino]-acetic acid
CID 39248043
[(2-Chloro-6-fluoro-benzyl)-ethyl-amino]-acetic acid
CID 39349019

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid (CID 75371969) is 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCCC1Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is PJDHKIBKWZGLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-6-2-1-4-10(12)8-11-5-3-7-15(11)9-13(16)17/h1-2,4,6,11H,3,5,7-9H2,(H,16,17).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid?
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 253.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 75371969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).