1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid

C15H19ClN2O3 — CID 63147426

IUPAC1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cccc(Cl)c2C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-8-18(9-15)11-5-3-4-10(16)12(11)13(17)19/h3-5H,2,6-9H2,1H3,(H2,17,19)(H,20,21)
InChIKeyLMOSXLOQFDHBQU-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147426) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147426
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cccc(Cl)c2C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-8-18(9-15)11-5-3-4-10(16)12(11)13(17)19/h3-5H,2,6-9H2,1H3,(H2,17,19)(H,20,21)
InChIKeyLMOSXLOQFDHBQU-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-(2-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147397
1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147029
1-(3-chloro-2-nitrophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 104835172
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
CID 63586009
1-(4-chloro-2-nitrophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147472
1-(2-carbamoyl-4-chlorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147105
2-chloro-6-(3,3-diethylazetidin-1-yl)benzoic acid
CID 79694153
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 104835169
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63147426) is 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2cccc(Cl)c2C(N)=O)C1.
What is the InChIKey of 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LMOSXLOQFDHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-8-18(9-15)11-5-3-4-10(16)12(11)13(17)19/h3-5H,2,6-9H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-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-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).