4-(methoxymethylamino)-4-oxobutanoic acid

C6H11NO4 — CID 121230669

IUPAC4-(methoxymethylamino)-4-oxobutanoic acid
SMILESCOCNC(=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-4-7-5(8)2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyQHBLIELSUWJLIQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.43
Rot. Bonds5

About 4-(methoxymethylamino)-4-oxobutanoic acid

4-(methoxymethylamino)-4-oxobutanoic acid (PubChem CID 121230669) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(methoxymethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(methoxymethylamino)-4-oxobutanoic acid
PubChem CID121230669
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-(methoxymethylamino)-4-oxobutanoic acid
SMILESCOCNC(=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-4-7-5(8)2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyQHBLIELSUWJLIQ-UHFFFAOYSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(methoxymethylamino)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
[4-(methoxymethylamino)-4-oxobutyl]carbamic acid
CID 87833831
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
[3-(methoxymethylamino)-3-oxopropyl] carbamate
CID 22489108
N-(methoxymethyl)hexadecanamide
CID 59805196
4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
methyl N-(methoxymethyl)carbamate
CID 12599260
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(methoxymethylamino)-4-oxobutanoic acid (CID 121230669) is 4-(methoxymethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(methoxymethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(methoxymethylamino)-4-oxobutanoic acid is COCNC(=O)CCC(=O)O.
What is the InChIKey of 4-(methoxymethylamino)-4-oxobutanoic acid?
The InChIKey is QHBLIELSUWJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-11-4-7-5(8)2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 4-(methoxymethylamino)-4-oxobutanoic acid?
4-(methoxymethylamino)-4-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 121230669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).