(2,3-diamino-3-carboxypropanoyl)oxyazanium

C4H10N3O4+ — CID 152950216

IUPAC(2,3-diamino-3-carboxypropanoyl)oxyazanium
SMILESNC(C(=O)O)C(N)C(=O)O[NH3+]
InChIInChI=1S/C4H9N3O4/c5-1(3(8)9)2(6)4(10)11-7/h1-2H,5-6H2,7H3/p+1
InChIKeyUONZHHPXLMYIBS-UHFFFAOYSA-O
MW164.14 g/mol
LogP-3.57
Rot. Bonds3

About (2,3-diamino-3-carboxypropanoyl)oxyazanium

(2,3-diamino-3-carboxypropanoyl)oxyazanium (PubChem CID 152950216) has the molecular formula C4H10N3O4+ and a molecular weight of 164.14 g/mol. Its IUPAC name is (2,3-diamino-3-carboxypropanoyl)oxyazanium.

Molecular Properties

Compound Name(2,3-diamino-3-carboxypropanoyl)oxyazanium
PubChem CID152950216
Molecular FormulaC4H10N3O4+
Molecular Weight164.14 g/mol
Exact Mass164.07
IUPAC Name(2,3-diamino-3-carboxypropanoyl)oxyazanium
SMILESNC(C(=O)O)C(N)C(=O)O[NH3+]
InChIInChI=1S/C4H9N3O4/c5-1(3(8)9)2(6)4(10)11-7/h1-2H,5-6H2,7H3/p+1
InChIKeyUONZHHPXLMYIBS-UHFFFAOYSA-O
XLogP-3.57
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-3.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,3-diamino-3-carboxypropanoyl)oxyazanium 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

(2S)-3-acetyloxy-2-aminobutanoic acid
CID 87141229
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3R)-2-amino-3-hydroperoxybutanoic acid
CID 87435001
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603

Frequently Asked Questions

What is the IUPAC name of (2,3-diamino-3-carboxypropanoyl)oxyazanium?
The IUPAC name of (2,3-diamino-3-carboxypropanoyl)oxyazanium (CID 152950216) is (2,3-diamino-3-carboxypropanoyl)oxyazanium.
What is the SMILES notation for (2,3-diamino-3-carboxypropanoyl)oxyazanium?
The canonical SMILES for (2,3-diamino-3-carboxypropanoyl)oxyazanium is NC(C(=O)O)C(N)C(=O)O[NH3+].
What is the InChIKey of (2,3-diamino-3-carboxypropanoyl)oxyazanium?
The InChIKey is UONZHHPXLMYIBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N3O4/c5-1(3(8)9)2(6)4(10)11-7/h1-2H,5-6H2,7H3/p+1.
What are the key properties of (2,3-diamino-3-carboxypropanoyl)oxyazanium?
(2,3-diamino-3-carboxypropanoyl)oxyazanium has a molecular weight of 164.14 g/mol, XLogP of -3.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diamino-3-carboxypropanoyl)oxyazanium is sourced from PubChem (CID 152950216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).