(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid

C12H14F2N2O3 — CID 114037268

IUPAC(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(F)c1F)C(=O)O
InChIInChI=1S/C12H14F2N2O3/c1-2-3-4-8(12(18)19)16-11(17)7-5-6-15-10(14)9(7)13/h5-6,8H,2-4H2,1H3,(H,16,17)(H,18,19)/t8-/m0/s1
InChIKeyRMVYJGPTSMNYRC-QMMMGPOBSA-N
MW272.25 g/mol
LogP1.73
Rot. Bonds6

About (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid

(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 114037268) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
PubChem CID114037268
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccnc(F)c1F)C(=O)O
InChIInChI=1S/C12H14F2N2O3/c1-2-3-4-8(12(18)19)16-11(17)7-5-6-15-10(14)9(7)13/h5-6,8H,2-4H2,1H3,(H,16,17)(H,18,19)/t8-/m0/s1
InChIKeyRMVYJGPTSMNYRC-QMMMGPOBSA-N
XLogP1.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid (CID 114037268) is (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccnc(F)c1F)C(=O)O.
What is the InChIKey of (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is RMVYJGPTSMNYRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-2-3-4-8(12(18)19)16-11(17)7-5-6-15-10(14)9(7)13/h5-6,8H,2-4H2,1H3,(H,16,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid?
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 272.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114037268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).