2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid

C15H17F3N2O5 — CID 120548662

IUPAC2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O5/c16-15(17,18)8-25-11-6-9(3-4-19-11)13(21)20-12(14(22)23)10-2-1-5-24-7-10/h3-4,6,10,12H,1-2,5,7-8H2,(H,20,21)(H,22,23)
InChIKeyKPQXVQIKQIBNAT-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.63
Rot. Bonds6

About 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid

2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid (PubChem CID 120548662) has the molecular formula C15H17F3N2O5 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
PubChem CID120548662
Molecular FormulaC15H17F3N2O5
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O5/c16-15(17,18)8-25-11-6-9(3-4-19-11)13(21)20-12(14(22)23)10-2-1-5-24-7-10/h3-4,6,10,12H,1-2,5,7-8H2,(H,20,21)(H,22,23)
InChIKeyKPQXVQIKQIBNAT-UHFFFAOYSA-N
XLogP1.63
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467997
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547872
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547769
2-(oxan-3-yl)-2-[[4-(phenoxymethyl)benzoyl]amino]acetic acid
CID 120547420
(2S)-2-[(3S)-oxan-3-yl]-2-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129470400

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid (CID 120548662) is 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)C1CCCOC1)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid?
The InChIKey is KPQXVQIKQIBNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O5/c16-15(17,18)8-25-11-6-9(3-4-19-11)13(21)20-12(14(22)23)10-2-1-5-24-7-10/h3-4,6,10,12H,1-2,5,7-8H2,(H,20,21)(H,22,23).
What are the key properties of 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid?
2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid has a molecular weight of 362.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 120548662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).