(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide

C8H13F2N3O2 — CID 104954938

IUPAC(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide
SMILESNCC(F)(F)CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13F2N3O2/c9-8(10,3-11)4-12-7(15)5-1-2-6(14)13-5/h5H,1-4,11H2,(H,12,15)(H,13,14)/t5-/m0/s1
InChIKeyYIBXPZCQFNZEAU-YFKPBYRVSA-N
MW221.21 g/mol
LogP-1.02
Rot. Bonds4

About (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 104954938) has the molecular formula C8H13F2N3O2 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID104954938
Molecular FormulaC8H13F2N3O2
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide
SMILESNCC(F)(F)CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13F2N3O2/c9-8(10,3-11)4-12-7(15)5-1-2-6(14)13-5/h5H,1-4,11H2,(H,12,15)(H,13,14)/t5-/m0/s1
InChIKeyYIBXPZCQFNZEAU-YFKPBYRVSA-N
XLogP-1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide 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 (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide (CID 104954938) is (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide is NCC(F)(F)CNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YIBXPZCQFNZEAU-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13F2N3O2/c9-8(10,3-11)4-12-7(15)5-1-2-6(14)13-5/h5H,1-4,11H2,(H,12,15)(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 221.21 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 104954938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).