1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C14H16Cl2N2O3 — CID 79376574

IUPAC1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2C)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-7-3-4-10(15)12(11(7)16)17-14(21)18-6-5-9(8(18)2)13(19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIXBOKQJQLPWMFR-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.63
Rot. Bonds2

About 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79376574) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79376574
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2C)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-7-3-4-10(15)12(11(7)16)17-14(21)18-6-5-9(8(18)2)13(19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIXBOKQJQLPWMFR-UHFFFAOYSA-N
XLogP3.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376609
(3R)-1-[(2,6-dichloro-3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127901
N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
CID 116653886
2-[1-[(2,6-dichloro-3-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682753
1-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383497
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376864
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79376574) is 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is Cc1ccc(Cl)c(NC(=O)N2CCC(C(=O)O)C2C)c1Cl.
What is the InChIKey of 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IXBOKQJQLPWMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-7-3-4-10(15)12(11(7)16)17-14(21)18-6-5-9(8(18)2)13(19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79376574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).