(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C14H15ClN2O4 — CID 78920198

IUPAC(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-10-4-1-3-9(7-10)13(19)16-8-12(18)17-6-2-5-11(17)14(20)21/h1,3-4,7,11H,2,5-6,8H2,(H,16,19)(H,20,21)/t11-/m1/s1
InChIKeyOAFYQWUYIKCLIE-LLVKDONJSA-N
MW310.74 g/mol
LogP1.15
Rot. Bonds4

About (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78920198) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78920198
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O4/c15-10-4-1-3-9(7-10)13(19)16-8-12(18)17-6-2-5-11(17)14(20)21/h1,3-4,7,11H,2,5-6,8H2,(H,16,19)(H,20,21)/t11-/m1/s1
InChIKeyOAFYQWUYIKCLIE-LLVKDONJSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 56547066
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
(2S)-1-[5-benzamido-4-oxo-3-(trifluoromethyl)pentanoyl]pyrrolidine-2-carboxylic acid
CID 70580106

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 78920198) is (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(NCC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OAFYQWUYIKCLIE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-4-1-3-9(7-10)13(19)16-8-12(18)17-6-2-5-11(17)14(20)21/h1,3-4,7,11H,2,5-6,8H2,(H,16,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 310.74 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78920198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).