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

C13H15ClN2O4 — CID 122077688

IUPAC1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1c(Cl)cccc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H15ClN2O4/c1-20-11-9(14)3-2-4-10(11)15-13(19)16-6-5-8(7-16)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyQBBVGEILNRBGFV-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.29
Rot. Bonds3

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

1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122077688) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122077688
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1c(Cl)cccc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H15ClN2O4/c1-20-11-9(14)3-2-4-10(11)15-13(19)16-6-5-8(7-16)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyQBBVGEILNRBGFV-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-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63030947
1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094446
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980701

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122077688) is 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is COc1c(Cl)cccc1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QBBVGEILNRBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-11-9(14)3-2-4-10(11)15-13(19)16-6-5-8(7-16)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-chloro-2-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-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122077688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).