2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid

C13H18N2O3 — CID 113440647

IUPAC2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ncccc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)5-3-8-15-12(16)11-6-4-7-14-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXPXPXJCKRDXCM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds6

About 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid

2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 113440647) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID113440647
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCc1ncccc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)5-3-8-15-12(16)11-6-4-7-14-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXPXPXJCKRDXCM-UHFFFAOYSA-N
XLogP1.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
CID 114316893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid (CID 113440647) is 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid is Cc1ncccc1C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is BXPXPXJCKRDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(13(17)18)5-3-8-15-12(16)11-6-4-7-14-10(11)2/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid?
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 113440647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).