4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid

C12H16N2O3 — CID 62691218

IUPAC4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-14(7-3-5-12(16)17)11(15)8-10-4-2-6-13-9-10/h2,4,6,9H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyKWKKATAPZYFOLC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.95
Rot. Bonds6

About 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid

4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid (PubChem CID 62691218) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
PubChem CID62691218
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-14(7-3-5-12(16)17)11(15)8-10-4-2-6-13-9-10/h2,4,6,9H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyKWKKATAPZYFOLC-UHFFFAOYSA-N
XLogP0.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
CID 58870383
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 43563730
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid (CID 62691218) is 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)Cc1cccnc1.
What is the InChIKey of 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid?
The InChIKey is KWKKATAPZYFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(7-3-5-12(16)17)11(15)8-10-4-2-6-13-9-10/h2,4,6,9H,3,5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid?
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 62691218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).