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

C12H16N2O4 — CID 103153354

IUPAC3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCOC(CNC(=O)Cc1cccnc1)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-10(6-12(16)17)8-14-11(15)5-9-3-2-4-13-7-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLSUPPGDNQFTSSN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.23
Rot. Bonds7

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

3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid (PubChem CID 103153354) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
PubChem CID103153354
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
SMILESCOC(CNC(=O)Cc1cccnc1)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-10(6-12(16)17)8-14-11(15)5-9-3-2-4-13-7-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLSUPPGDNQFTSSN-UHFFFAOYSA-N
XLogP0.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 103158690
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
4-[[2-(3-aminophenyl)acetyl]amino]-3-methoxybutanoic acid
CID 103156979
3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
CID 103152974
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
CID 66868100
CID 66868100
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103152454

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid (CID 103153354) is 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid is COC(CNC(=O)Cc1cccnc1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
The InChIKey is LSUPPGDNQFTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-10(6-12(16)17)8-14-11(15)5-9-3-2-4-13-7-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid?
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 103153354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).