1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid

C13H15ClN2O3 — CID 55165768

IUPAC1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)4-5-16(7-13)8-2-3-9(11(15)17)10(14)6-8/h2-3,6H,4-5,7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyQTYQZHDAHFQPLB-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.74
Rot. Bonds3

About 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid

1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 55165768) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID55165768
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C13H15ClN2O3/c1-13(12(18)19)4-5-16(7-13)8-2-3-9(11(15)17)10(14)6-8/h2-3,6H,4-5,7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyQTYQZHDAHFQPLB-UHFFFAOYSA-N
XLogP1.74
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid (CID 55165768) is 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1.
What is the InChIKey of 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QTYQZHDAHFQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(12(18)19)4-5-16(7-13)8-2-3-9(11(15)17)10(14)6-8/h2-3,6H,4-5,7H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).