(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid

C10H11F3N2O2 — CID 169025163

IUPAC(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESN[C@@H](CCc1cncc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6(4-15-5-7)1-2-8(14)9(16)17/h3-5,8H,1-2,14H2,(H,16,17)/t8-/m0/s1
InChIKeyFZLSLTNBEVCGGG-QMMMGPOBSA-N
MW248.20 g/mol
LogP1.44
Rot. Bonds4

About (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid

(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid (PubChem CID 169025163) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid
PubChem CID169025163
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESN[C@@H](CCc1cncc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6(4-15-5-7)1-2-8(14)9(16)17/h3-5,8H,1-2,14H2,(H,16,17)/t8-/m0/s1
InChIKeyFZLSLTNBEVCGGG-QMMMGPOBSA-N
XLogP1.44
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 115008941
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
CID 118798658
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
2-amino-4-pyridazin-4-ylbutanoic acid
CID 69404506
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
CID 143659050
(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
CID 141140195
2-amino-3-(5-amino-3-pyridinyl)propanoic acid
CID 55283262
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid (CID 169025163) is (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid is N[C@@H](CCc1cncc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The InChIKey is FZLSLTNBEVCGGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6(4-15-5-7)1-2-8(14)9(16)17/h3-5,8H,1-2,14H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
(2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid has a molecular weight of 248.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[5-(trifluoromethyl)-3-pyridinyl]butanoic acid is sourced from PubChem (CID 169025163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).