1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H15ClN2O3 — CID 61192230

IUPAC1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-8-4-5-9(14)7-10(8)15-13(19)16-6-2-3-11(16)12(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyHYMOKKTVMJXRIK-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.73
Rot. Bonds2

About 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61192230) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61192230
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-8-4-5-9(14)7-10(8)15-13(19)16-6-2-3-11(16)12(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyHYMOKKTVMJXRIK-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(5-cyano-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62105065
1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86288013
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894249
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627
(2R)-1-[(3-iodo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114257751
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61192230) is 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is Cc1ccc(Cl)cc1NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HYMOKKTVMJXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-4-5-9(14)7-10(8)15-13(19)16-6-2-3-11(16)12(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61192230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).