(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid

C13H16N2O5 — CID 107831282

IUPAC(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
SMILESCc1cc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)ccn1
InChIInChI=1S/C13H16N2O5/c1-8-7-9(5-6-14-8)12(18)15-10(13(19)20)3-2-4-11(16)17/h5-7,10H,2-4H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m1/s1
InChIKeyBYTJTIUAGLPGEZ-SNVBAGLBSA-N
MW280.28 g/mol
LogP0.83
Rot. Bonds7

About (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid

(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid (PubChem CID 107831282) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
PubChem CID107831282
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
SMILESCc1cc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)ccn1
InChIInChI=1S/C13H16N2O5/c1-8-7-9(5-6-14-8)12(18)15-10(13(19)20)3-2-4-11(16)17/h5-7,10H,2-4H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m1/s1
InChIKeyBYTJTIUAGLPGEZ-SNVBAGLBSA-N
XLogP0.83
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic 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

5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
3-(1H-imidazol-5-yl)-2-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 107864154
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
(2R)-2-[(6-bromopyridine-3-carbonyl)amino]hexanedioic acid
CID 107831559
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988
(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
CID 120614797

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid (CID 107831282) is (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid is Cc1cc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)ccn1.
What is the InChIKey of (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid?
The InChIKey is BYTJTIUAGLPGEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-7-9(5-6-14-8)12(18)15-10(13(19)20)3-2-4-11(16)17/h5-7,10H,2-4H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid?
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid has a molecular weight of 280.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107831282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).