(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate

C14H16ClNO3 — CID 15588874

IUPAC(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)9-19-14(18)8-6-12-5-7-13(17)16-12/h1-4,12H,5-9H2,(H,16,17)
InChIKeyIOUSNVRNQGPHID-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.44
Rot. Bonds5

About (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate

(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate (PubChem CID 15588874) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
PubChem CID15588874
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)9-19-14(18)8-6-12-5-7-13(17)16-12/h1-4,12H,5-9H2,(H,16,17)
InChIKeyIOUSNVRNQGPHID-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate (CID 15588874) is (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate is O=C1CCC(CCC(=O)OCc2ccc(Cl)cc2)N1.
What is the InChIKey of (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The InChIKey is IOUSNVRNQGPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)9-19-14(18)8-6-12-5-7-13(17)16-12/h1-4,12H,5-9H2,(H,16,17).
What are the key properties of (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
(4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate has a molecular weight of 281.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 15588874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).