4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C8H15NO4 — CID 65302588

IUPAC4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCON(C)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,7(11)12)5-6(10)9(3)13-4/h5H2,1-4H3,(H,11,12)
InChIKeyPXHDSUPHYXNFMS-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.51
Rot. Bonds4

About 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302588) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302588
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCON(C)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,7(11)12)5-6(10)9(3)13-4/h5H2,1-4H3,(H,11,12)
InChIKeyPXHDSUPHYXNFMS-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
N-methoxy-N-methylpropanamide
CID 11344007
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 118599467
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
CID 90348684
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid
CID 170338570
4,5-dibromo-2,2,7,7-tetramethyloct-4-enedioic acid
CID 175504746
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297807
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302588) is 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CON(C)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is PXHDSUPHYXNFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,7(11)12)5-6(10)9(3)13-4/h5H2,1-4H3,(H,11,12).
What are the key properties of 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).