(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide

C12H12F2N2O3 — CID 118884327

IUPAC(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC[C@@]1(O)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-8-3-7(4-9(14)5-8)6-16-11(18)12(19)1-2-15-10(12)17/h3-5,19H,1-2,6H2,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyLXBXTNHMSUXDDT-LBPRGKRZSA-N
MW270.23 g/mol
LogP-0.17
Rot. Bonds3

About (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide

(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 118884327) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID118884327
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC[C@@]1(O)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O3/c13-8-3-7(4-9(14)5-8)6-16-11(18)12(19)1-2-15-10(12)17/h3-5,19H,1-2,6H2,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyLXBXTNHMSUXDDT-LBPRGKRZSA-N
XLogP-0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 118884327) is (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC[C@@]1(O)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is LXBXTNHMSUXDDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-8-3-7(4-9(14)5-8)6-16-11(18)12(19)1-2-15-10(12)17/h3-5,19H,1-2,6H2,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?
(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 270.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 118884327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).