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

C15H19ClN2O3 — CID 63147029

IUPAC1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-5-15(14(20)21)6-7-18(9-15)10-3-4-11(13(17)19)12(16)8-10/h3-4,8H,2,5-7,9H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWFZXZYAFEYVQPB-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.52
Rot. Bonds5

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

1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147029) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147029
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-5-15(14(20)21)6-7-18(9-15)10-3-4-11(13(17)19)12(16)8-10/h3-4,8H,2,5-7,9H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWFZXZYAFEYVQPB-UHFFFAOYSA-N
XLogP2.52
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165768
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147426
1-(3-bromo-4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 107275457
1-(2-carbamoyl-4-chlorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147105
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
1-(4-chloro-2-nitrophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147472
1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63136635
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013215

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63147029) is 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2ccc(C(N)=O)c(Cl)c2)C1.
What is the InChIKey of 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WFZXZYAFEYVQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-5-15(14(20)21)6-7-18(9-15)10-3-4-11(13(17)19)12(16)8-10/h3-4,8H,2,5-7,9H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.52, 5 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-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).