(3S)-3-amino-4-aminooxy-4-oxobutanoic acid

C4H8N2O4 — CID 20575901

IUPAC(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
SMILESNOC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C4H8N2O4/c5-2(1-3(7)8)4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1
InChIKeyMEEOZHSHHPCTHR-REOHCLBHSA-N
MW148.12 g/mol
LogP-1.79
Rot. Bonds3

About (3S)-3-amino-4-aminooxy-4-oxobutanoic acid

(3S)-3-amino-4-aminooxy-4-oxobutanoic acid (PubChem CID 20575901) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is (3S)-3-amino-4-aminooxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
PubChem CID20575901
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
SMILESNOC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C4H8N2O4/c5-2(1-3(7)8)4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1
InChIKeyMEEOZHSHHPCTHR-REOHCLBHSA-N
XLogP-1.79
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-4-aminooxy-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

4-acetyloxy-3-amino-4-oxobutanoic acid
CID 22496678
(3S)-3-amino-4-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-4-oxobutanoic acid
CID 57296161
(3S)-3-amino-4-oxo-4-prop-1-en-2-yloxybutanoic acid
CID 139715673
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;selane
CID 174828111
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-aminooxy-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-aminooxy-4-oxobutanoic acid (CID 20575901) is (3S)-3-amino-4-aminooxy-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-aminooxy-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-aminooxy-4-oxobutanoic acid is NOC(=O)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-4-aminooxy-4-oxobutanoic acid?
The InChIKey is MEEOZHSHHPCTHR-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N2O4/c5-2(1-3(7)8)4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1.
What are the key properties of (3S)-3-amino-4-aminooxy-4-oxobutanoic acid?
(3S)-3-amino-4-aminooxy-4-oxobutanoic acid has a molecular weight of 148.12 g/mol, XLogP of -1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-aminooxy-4-oxobutanoic acid is sourced from PubChem (CID 20575901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).