2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid

C12H16N2O3 — CID 43631097

IUPAC2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccc(C)n1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-5-10(12(16)17)14-11(15)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJXAIVYGURHZXTP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds5

About 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid

2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 43631097) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
PubChem CID43631097
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccc(C)n1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-5-10(12(16)17)14-11(15)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJXAIVYGURHZXTP-UHFFFAOYSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
CID 132942332
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid (CID 43631097) is 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cccc(C)n1)C(=O)O.
What is the InChIKey of 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is JXAIVYGURHZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-5-10(12(16)17)14-11(15)9-7-4-6-8(2)13-9/h4,6-7,10H,3,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid?
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).