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

C11H14N2O3 — CID 110836421

IUPAC2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccncc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-12-6-9(7)10(14)13(3)8(2)11(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyAPKIASXXAMDSMQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.94
Rot. Bonds3

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

2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 110836421) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID110836421
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccncc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-12-6-9(7)10(14)13(3)8(2)11(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyAPKIASXXAMDSMQ-UHFFFAOYSA-N
XLogP0.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide
CID 139373654
methyl 3-[methyl-[1-[methyl-(4-methylpyridine-3-carbonyl)amino]ethyl]amino]bicyclo[1.1.1]pentane-1-carboxylate
CID 155044586
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
4-methylpyridine-3-carbonyl chloride
CID 22386188
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 131961353
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
2-[methyl-(2-methyl-4-pentan-3-ylbenzoyl)amino]propanoic acid
CID 142901652

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid (CID 110836421) is 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid is Cc1ccncc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is APKIASXXAMDSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-5-12-6-9(7)10(14)13(3)8(2)11(15)16/h4-6,8H,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid?
2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).