(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one

C8H13FN2O2 — CID 175214587

IUPAC(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one
SMILESNC(C[C@@H]1CCNC1=O)C(=O)CF
InChIInChI=1S/C8H13FN2O2/c9-4-7(12)6(10)3-5-1-2-11-8(5)13/h5-6H,1-4,10H2,(H,11,13)/t5-,6?/m0/s1
InChIKeyUBOFRNNKOVPWBW-ZBHICJROSA-N
MW188.20 g/mol
LogP-0.62
Rot. Bonds4

About (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one

(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one (PubChem CID 175214587) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one
PubChem CID175214587
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one
SMILESNC(C[C@@H]1CCNC1=O)C(=O)CF
InChIInChI=1S/C8H13FN2O2/c9-4-7(12)6(10)3-5-1-2-11-8(5)13/h5-6H,1-4,10H2,(H,11,13)/t5-,6?/m0/s1
InChIKeyUBOFRNNKOVPWBW-ZBHICJROSA-N
XLogP-0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one 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 (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one (CID 175214587) is (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one is NC(C[C@@H]1CCNC1=O)C(=O)CF.
What is the InChIKey of (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one?
The InChIKey is UBOFRNNKOVPWBW-ZBHICJROSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-4-7(12)6(10)3-5-1-2-11-8(5)13/h5-6H,1-4,10H2,(H,11,13)/t5-,6?/m0/s1.
What are the key properties of (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one?
(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one has a molecular weight of 188.20 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 175214587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).