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

C13H18N2O4 — CID 120532284

IUPAC4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ncccc1C
InChIInChI=1S/C13H18N2O4/c1-9-5-4-6-14-11(9)12(18)15-13(2,8-19-3)7-10(16)17/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXPUVEQTUNPSXBN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.00
Rot. Bonds6

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

4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 120532284) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID120532284
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ncccc1C
InChIInChI=1S/C13H18N2O4/c1-9-5-4-6-14-11(9)12(18)15-13(2,8-19-3)7-10(16)17/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXPUVEQTUNPSXBN-UHFFFAOYSA-N
XLogP1.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
CID 120532391
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
4-methoxy-3-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 120532280
4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120532367
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]-4-methoxy-3-methylbutanoic acid
CID 122108211
3-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)-4-methoxy-3-methylbutanoic acid
CID 120532233
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (CID 120532284) is 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1ncccc1C.
What is the InChIKey of 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is XPUVEQTUNPSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-5-4-6-14-11(9)12(18)15-13(2,8-19-3)7-10(16)17/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120532284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).