2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid

C13H15ClN2O3 — CID 63092740

IUPAC2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid
SMILESNC(=O)c1ccc(N2CCCC2CC(=O)O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-10-6-8(13(15)19)3-4-11(10)16-5-1-2-9(16)7-12(17)18/h3-4,6,9H,1-2,5,7H2,(H2,15,19)(H,17,18)
InChIKeyPYCRBPQPWQOEKN-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid

2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid (PubChem CID 63092740) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid
PubChem CID63092740
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid
SMILESNC(=O)c1ccc(N2CCCC2CC(=O)O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-10-6-8(13(15)19)3-4-11(10)16-5-1-2-9(16)7-12(17)18/h3-4,6,9H,1-2,5,7H2,(H2,15,19)(H,17,18)
InChIKeyPYCRBPQPWQOEKN-UHFFFAOYSA-N
XLogP1.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
CID 62494147
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
1-[3-chloro-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]ethanone
CID 62908139
2-[1-(3-bromo-2-carbamoylphenyl)pyrrolidin-2-yl]acetic acid
CID 114880101
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-chlorobenzamide
CID 63092111
2-[1-(4-cyano-2-methylphenyl)pyrrolidin-2-yl]acetic acid
CID 61371884
3-chloro-4-(2-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 63086947
1-(4-carbamothioyl-2-chlorophenyl)piperidine-2-carboxamide
CID 55180077
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
CID 63873145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid (CID 63092740) is 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid is NC(=O)c1ccc(N2CCCC2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is PYCRBPQPWQOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-6-8(13(15)19)3-4-11(10)16-5-1-2-9(16)7-12(17)18/h3-4,6,9H,1-2,5,7H2,(H2,15,19)(H,17,18).
What are the key properties of 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 282.73 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63092740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).