(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

C10H9F3N2O4 — CID 107833571

IUPAC(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)7-2-1-5(3-14-7)8(17)15-4-6(16)9(18)19/h1-3,6,16H,4H2,(H,15,17)(H,18,19)/t6-/m0/s1
InChIKeyFRHWPHUUOFYKDP-LURJTMIESA-N
MW278.19 g/mol
LogP0.28
Rot. Bonds4

About (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 107833571) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID107833571
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)7-2-1-5(3-14-7)8(17)15-4-6(16)9(18)19/h1-3,6,16H,4H2,(H,15,17)(H,18,19)/t6-/m0/s1
InChIKeyFRHWPHUUOFYKDP-LURJTMIESA-N
XLogP0.28
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 107833571) is (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is FRHWPHUUOFYKDP-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)7-2-1-5(3-14-7)8(17)15-4-6(16)9(18)19/h1-3,6,16H,4H2,(H,15,17)(H,18,19)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 107833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).