(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C12H13ClN2O2 — CID 132530670

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccccc2Cl)N1
InChIInChI=1S/C12H13ClN2O2/c13-9-4-2-1-3-8(9)7-14-12(17)10-5-6-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyGHUJJDBYOCSMKA-JTQLQIEISA-N
MW252.70 g/mol
LogP1.23
Rot. Bonds3

About (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 132530670) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID132530670
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccccc2Cl)N1
InChIInChI=1S/C12H13ClN2O2/c13-9-4-2-1-3-8(9)7-14-12(17)10-5-6-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyGHUJJDBYOCSMKA-JTQLQIEISA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44237086

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 132530670) is (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCc2ccccc2Cl)N1.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GHUJJDBYOCSMKA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-4-2-1-3-8(9)7-14-12(17)10-5-6-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 132530670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).