(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid

C14H17F3N2O4 — CID 120615249

IUPAC(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)O
InChIInChI=1S/C14H17F3N2O4/c1-2-3-6-10(13(21)22)19-11(20)9-5-4-7-18-12(9)23-8-14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20)(H,21,22)/t10-/m0/s1
InChIKeyULYDKJVMMWXBGP-JTQLQIEISA-N
MW334.29 g/mol
LogP2.40
Rot. Bonds8

About (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid

(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid (PubChem CID 120615249) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
PubChem CID120615249
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)O
InChIInChI=1S/C14H17F3N2O4/c1-2-3-6-10(13(21)22)19-11(20)9-5-4-7-18-12(9)23-8-14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20)(H,21,22)/t10-/m0/s1
InChIKeyULYDKJVMMWXBGP-JTQLQIEISA-N
XLogP2.40
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid (CID 120615249) is (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid?
The InChIKey is ULYDKJVMMWXBGP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-2-3-6-10(13(21)22)19-11(20)9-5-4-7-18-12(9)23-8-14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20)(H,21,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid?
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid has a molecular weight of 334.29 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 120615249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).