(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H15ClN2O3 — CID 28509931

IUPAC(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-10-5-2-1-4-9(10)8-15-13(19)16-7-3-6-11(16)12(17)18/h1-2,4-5,11H,3,6-8H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyXNGNUIHUQMVTAS-NSHDSACASA-N
MW282.73 g/mol
LogP2.10
Rot. Bonds3

About (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 28509931) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID28509931
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-10-5-2-1-4-9(10)8-15-13(19)16-7-3-6-11(16)12(17)18/h1-2,4-5,11H,3,6-8H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyXNGNUIHUQMVTAS-NSHDSACASA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
(2S)-1-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 168891044
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841658
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468963
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 28509931) is (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XNGNUIHUQMVTAS-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-5-2-1-4-9(10)8-15-13(19)16-7-3-6-11(16)12(17)18/h1-2,4-5,11H,3,6-8H2,(H,15,19)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28509931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).