3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid

C12H16N2O3 — CID 107147106

IUPAC3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
SMILESCc1cccnc1CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-4-3-5-13-10(8)7-11(15)14-9(2)6-12(16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRYENOLWDXCGKQL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds5

About 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid

3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid (PubChem CID 107147106) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
PubChem CID107147106
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
SMILESCc1cccnc1CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-4-3-5-13-10(8)7-11(15)14-9(2)6-12(16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRYENOLWDXCGKQL-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
CID 107147232
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 107147066
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
3-(1H-imidazol-5-yl)-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107864180

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid (CID 107147106) is 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid is Cc1cccnc1CC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid?
The InChIKey is RYENOLWDXCGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-3-5-13-10(8)7-11(15)14-9(2)6-12(16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid?
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107147106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).