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

C14H16ClNO3 — CID 15588872

IUPAC(2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2Cl)N1
InChIInChI=1S/C14H16ClNO3/c15-12-4-2-1-3-10(12)9-19-14(18)8-6-11-5-7-13(17)16-11/h1-4,11H,5-9H2,(H,16,17)
InChIKeyYCLSXALAJDKMSK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.44
Rot. Bonds5

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

(2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate (PubChem CID 15588872) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
PubChem CID15588872
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2Cl)N1
InChIInChI=1S/C14H16ClNO3/c15-12-4-2-1-3-10(12)9-19-14(18)8-6-11-5-7-13(17)16-11/h1-4,11H,5-9H2,(H,16,17)
InChIKeyYCLSXALAJDKMSK-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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate (CID 15588872) is (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate is O=C1CCC(CCC(=O)OCc2ccccc2Cl)N1.
What is the InChIKey of (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The InChIKey is YCLSXALAJDKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-12-4-2-1-3-10(12)9-19-14(18)8-6-11-5-7-13(17)16-11/h1-4,11H,5-9H2,(H,16,17).
What are the key properties of (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
(2-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 (2-chlorophenyl)methyl 3-(5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 15588872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).