(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide

C8H12F3N3O2 — CID 166466429

IUPAC(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide
SMILESNC(=O)[C@@H](N)CC1C[C@H](C(F)(F)F)NC1=O
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-2-3(7(16)14-5)1-4(12)6(13)15/h3-5H,1-2,12H2,(H2,13,15)(H,14,16)/t3?,4-,5+/m0/s1
InChIKeyVHRLPLOSQQJVQM-ROTTUQNMSA-N
MW239.20 g/mol
LogP-0.74
Rot. Bonds3

About (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide

(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide (PubChem CID 166466429) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide
PubChem CID166466429
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide
SMILESNC(=O)[C@@H](N)CC1C[C@H](C(F)(F)F)NC1=O
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-2-3(7(16)14-5)1-4(12)6(13)15/h3-5H,1-2,12H2,(H2,13,15)(H,14,16)/t3?,4-,5+/m0/s1
InChIKeyVHRLPLOSQQJVQM-ROTTUQNMSA-N
XLogP-0.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide 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)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide (CID 166466429) is (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide is NC(=O)[C@@H](N)CC1C[C@H](C(F)(F)F)NC1=O.
What is the InChIKey of (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is VHRLPLOSQQJVQM-ROTTUQNMSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)5-2-3(7(16)14-5)1-4(12)6(13)15/h3-5H,1-2,12H2,(H2,13,15)(H,14,16)/t3?,4-,5+/m0/s1.
What are the key properties of (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide?
(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 239.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 166466429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).