(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid

C13H18N2O4 — CID 107144610

IUPAC(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1OC)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-7-10(13(17)18)15-11(16)9-6-5-8-14-12(9)19-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyVRRWORMXKUHXOQ-JTQLQIEISA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds7

About (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid

(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 107144610) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
PubChem CID107144610
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cccnc1OC)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-7-10(13(17)18)15-11(16)9-6-5-8-14-12(9)19-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyVRRWORMXKUHXOQ-JTQLQIEISA-N
XLogP1.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
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
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415816
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide
CID 24760783
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid (CID 107144610) is (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cccnc1OC)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is VRRWORMXKUHXOQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-7-10(13(17)18)15-11(16)9-6-5-8-14-12(9)19-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid?
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107144610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).