4-(methoxyamino)-4-oxobutanoic acid

C5H9NO4 — CID 64974135

IUPAC4-(methoxyamino)-4-oxobutanoic acid
SMILESCONC(=O)CCC(=O)O
InChIInChI=1S/C5H9NO4/c1-10-6-4(7)2-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyPHGBQYZFNJMVMY-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.47
Rot. Bonds4

About 4-(methoxyamino)-4-oxobutanoic acid

4-(methoxyamino)-4-oxobutanoic acid (PubChem CID 64974135) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-(methoxyamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(methoxyamino)-4-oxobutanoic acid
PubChem CID64974135
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name4-(methoxyamino)-4-oxobutanoic acid
SMILESCONC(=O)CCC(=O)O
InChIInChI=1S/C5H9NO4/c1-10-6-4(7)2-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyPHGBQYZFNJMVMY-UHFFFAOYSA-N
XLogP-0.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.47
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

5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
N-methoxy-4-methylpent-4-enamide
CID 135084610
4-(acetyloxyamino)-4-oxobutanoic acid
CID 139972378
N-methoxy-4-oxobutanamide
CID 126994320
N-methoxy-5-oxopentanamide
CID 91086399
N-methoxy-9-oxononanamide
CID 144851599
4-iodo-N-methoxybutanamide
CID 141466825
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
4-(carbamoylperoxyamino)-4-oxobutanoic acid
CID 19094886
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
6-chloro-N-methoxyhexanamide
CID 90073847

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-4-oxobutanoic acid?
The IUPAC name of 4-(methoxyamino)-4-oxobutanoic acid (CID 64974135) is 4-(methoxyamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(methoxyamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(methoxyamino)-4-oxobutanoic acid is CONC(=O)CCC(=O)O.
What is the InChIKey of 4-(methoxyamino)-4-oxobutanoic acid?
The InChIKey is PHGBQYZFNJMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-10-6-4(7)2-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 4-(methoxyamino)-4-oxobutanoic acid?
4-(methoxyamino)-4-oxobutanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-4-oxobutanoic acid is sourced from PubChem (CID 64974135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).