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

C11H14N2O3 — CID 106752504

IUPAC3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C)CC(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-7-5-9(3-4-12-7)11(16)13-8(2)6-10(14)15/h3-5,8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySZHFTPCXHOLJPA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds4

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

3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (PubChem CID 106752504) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
PubChem CID106752504
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C)CC(=O)O)ccn1
InChIInChI=1S/C11H14N2O3/c1-7-5-9(3-4-12-7)11(16)13-8(2)6-10(14)15/h3-5,8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySZHFTPCXHOLJPA-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (CID 106752504) is 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NC(C)CC(=O)O)ccn1.
What is the InChIKey of 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is SZHFTPCXHOLJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-9(3-4-12-7)11(16)13-8(2)6-10(14)15/h3-5,8H,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 106752504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).