1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H15ClN2O4 — CID 63031412

IUPAC1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C13H15ClN2O4/c1-20-9-2-3-10(14)11(6-9)15-13(19)16-5-4-8(7-16)12(17)18/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYBDFBGDHCCDJPF-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031412) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031412
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C13H15ClN2O4/c1-20-9-2-3-10(14)11(6-9)15-13(19)16-5-4-8(7-16)12(17)18/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYBDFBGDHCCDJPF-UHFFFAOYSA-N
XLogP2.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
1-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079612
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63031412) is 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is COc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YBDFBGDHCCDJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-9-2-3-10(14)11(6-9)15-13(19)16-5-4-8(7-16)12(17)18/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).