4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid

C16H24N2O5 — CID 120532376

IUPAC4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cc(CC(C)C)[nH]c(=O)c1
InChIInChI=1S/C16H24N2O5/c1-10(2)5-12-6-11(7-13(19)17-12)15(22)18-16(3,9-23-4)8-14(20)21/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyNGSQMJIOBXGOOV-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.18
Rot. Bonds8

About 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid (PubChem CID 120532376) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid
PubChem CID120532376
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cc(CC(C)C)[nH]c(=O)c1
InChIInChI=1S/C16H24N2O5/c1-10(2)5-12-6-11(7-13(19)17-12)15(22)18-16(3,9-23-4)8-14(20)21/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyNGSQMJIOBXGOOV-UHFFFAOYSA-N
XLogP1.18
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
CID 110000936
methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate
CID 75446915
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 122569893
2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697503
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
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523942
4-methoxy-3-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 120532280
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]-4-methoxy-3-methylbutanoic acid
CID 122108211
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 120532205
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid (CID 120532376) is 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1cc(CC(C)C)[nH]c(=O)c1.
What is the InChIKey of 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid?
The InChIKey is NGSQMJIOBXGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)5-12-6-11(7-13(19)17-12)15(22)18-16(3,9-23-4)8-14(20)21/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid has a molecular weight of 324.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120532376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).