(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid

C10H10F3N3O4 — CID 107840757

IUPAC(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)7-2-1-5(3-14-7)16-9(20)15-4-6(17)8(18)19/h1-3,6,17H,4H2,(H,18,19)(H2,15,16,20)/t6-/m0/s1
InChIKeyKRGPQCFRPGBKNK-LURJTMIESA-N
MW293.20 g/mol
LogP0.67
Rot. Bonds4

About (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid

(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid (PubChem CID 107840757) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
PubChem CID107840757
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)7-2-1-5(3-14-7)16-9(20)15-4-6(17)8(18)19/h1-3,6,17H,4H2,(H,18,19)(H2,15,16,20)/t6-/m0/s1
InChIKeyKRGPQCFRPGBKNK-LURJTMIESA-N
XLogP0.67
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
1-[(3-hydroxyphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 122133943
(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid (CID 107840757) is (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid is O=C(NC[C@H](O)C(=O)O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid?
The InChIKey is KRGPQCFRPGBKNK-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F3N3O4/c11-10(12,13)7-2-1-5(3-14-7)16-9(20)15-4-6(17)8(18)19/h1-3,6,17H,4H2,(H,18,19)(H2,15,16,20)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid?
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid has a molecular weight of 293.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 107840757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).