(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid

C6H10F3NO2 — CID 134858546

IUPAC(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
SMILESC[C@@H](CC(N)C(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyXFGVJLGVINCWDP-WUCPZUCCSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds3

About (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid

(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid (PubChem CID 134858546) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
PubChem CID134858546
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
SMILESC[C@@H](CC(N)C(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyXFGVJLGVINCWDP-WUCPZUCCSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Leucine
CID 6106
L-Isoleucine
CID 6306
Eflornithine
CID 3009
Alloisoleucine, DL-
CID 99288
D-Leucine
CID 439524
2-Amino-3-methylpentanoic acid
CID 791
Leucine zwitterion
CID 7045798
Alloisoleucine, D-
CID 94206
D-Isoleucine
CID 76551
DL-leucine
CID 857
2-Azaniumyl-4-methylpentanoate
CID 5255803
Nv-5138
CID 129050791

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The IUPAC name of (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid (CID 134858546) is (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid.
What is the SMILES notation for (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The canonical SMILES for (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid is C[C@@H](CC(N)C(=O)O)C(F)(F)F.
What is the InChIKey of (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
The InChIKey is XFGVJLGVINCWDP-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4?/m0/s1.
What are the key properties of (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid?
(4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid is sourced from PubChem (CID 134858546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).