(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid

C10H18F3NO3 — CID 150946959

IUPAC(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
SMILESCCCN(CCC(F)(F)F)[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-2-5-14(6-4-10(11,12)13)8(3-7-15)9(16)17/h8,15H,2-7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyLJGNNPINJPQZPI-QMMMGPOBSA-N
MW257.25 g/mol
LogP1.49
Rot. Bonds8

About (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid

(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid (PubChem CID 150946959) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
PubChem CID150946959
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
SMILESCCCN(CCC(F)(F)F)[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-2-5-14(6-4-10(11,12)13)8(3-7-15)9(16)17/h8,15H,2-7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyLJGNNPINJPQZPI-QMMMGPOBSA-N
XLogP1.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic 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

(2S)-2-(dimethylamino)-4-hydroxybutanoic acid
CID 131888341
(2S)-4-hydroxy-2-(trimethylazaniumyl)butanoate
CID 131226751
(2S)-2-[methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 134423704
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
1-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 145202543
2-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 145202628
Unk-N(Pr)Hse-OH.H-Ala(F3)-OH
CID 159284824
(2S)-4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid
CID 172820704
Methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
CID 174688025
4-Hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid
CID 175325209
(2S)-2-(2,3-dimethylaziridin-1-yl)-4-hydroxybutanoic acid
CID 90777179
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61604776

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid (CID 150946959) is (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid is CCCN(CCC(F)(F)F)[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid?
The InChIKey is LJGNNPINJPQZPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-2-5-14(6-4-10(11,12)13)8(3-7-15)9(16)17/h8,15H,2-7H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid is sourced from PubChem (CID 150946959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).