2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid

C10H19NO4 — CID 103499035

IUPAC2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NOC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6(7(2)9(13)14)8(12)11-15-10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14)
InChIKeyFOSPNAHOYMGDCF-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.19
Rot. Bonds4

About 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid

2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid (PubChem CID 103499035) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
PubChem CID103499035
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NOC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6(7(2)9(13)14)8(12)11-15-10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14)
InChIKeyFOSPNAHOYMGDCF-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropanoate
CID 10798185
4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbamoyl]butanoic acid
CID 141135925
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]benzamide
CID 82724139
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
(2S)-4-chloro-2-methyl-N-[(2-methylpropan-2-yl)oxy]-3-oxobutanamide
CID 141088676
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
4-(3-carboxy-2-methylbutanoyl)oxy-2,3-dimethyl-4-oxobutanoic acid
CID 88750735
2-(aminomethyl)-4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 107472596
2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 107857017
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid (CID 103499035) is 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NOC(C)(C)C.
What is the InChIKey of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid?
The InChIKey is FOSPNAHOYMGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(7(2)9(13)14)8(12)11-15-10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14).
What are the key properties of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid?
2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 103499035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).