2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid

C11H14N2O3 — CID 106752586

IUPAC2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)C(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-13-10(14)9-3-4-12-8(2)5-9/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWEUBJHHQGDIPDP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.84
Rot. Bonds4

About 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid

2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid (PubChem CID 106752586) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
PubChem CID106752586
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)C(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-13-10(14)9-3-4-12-8(2)5-9/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWEUBJHHQGDIPDP-UHFFFAOYSA-N
XLogP0.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
N-(2-chloro-3-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754281
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(4-chloro-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754217
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid (CID 106752586) is 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCC(C)C(=O)O)ccn1.
What is the InChIKey of 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is WEUBJHHQGDIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16)6-13-10(14)9-3-4-12-8(2)5-9/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106752586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).