(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid

C8H18N4O7 — CID 173165930

IUPAC(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESN.NC(=O)C[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O3.C4H7NO4.H3N/c2*5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);1H3/t2*2-;/m00./s1
InChIKeyNMTWFUOISHBYNW-CEOVSRFSSA-N
MW282.25 g/mol
LogP-2.69
Rot. Bonds6

About (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid

(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid (PubChem CID 173165930) has the molecular formula C8H18N4O7 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
PubChem CID173165930
Molecular FormulaC8H18N4O7
Molecular Weight282.25 g/mol
Exact Mass282.12
IUPAC Name(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESN.NC(=O)C[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O3.C4H7NO4.H3N/c2*5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);1H3/t2*2-;/m00./s1
InChIKeyNMTWFUOISHBYNW-CEOVSRFSSA-N
XLogP-2.69
TPSA242.03 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-2.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-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

2-aminobutanedioic acid;carbamic acid
CID 87364941
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;selane
CID 174828111
azanium (2S)-2-aminobutanedioic acid
CID 10130050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid?
The IUPAC name of (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid (CID 173165930) is (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid is N.NC(=O)C[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid?
The InChIKey is NMTWFUOISHBYNW-CEOVSRFSSA-N. The full InChI is InChI=1S/C4H8N2O3.C4H7NO4.H3N/c2*5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);1H3/t2*2-;/m00./s1.
What are the key properties of (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid?
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid has a molecular weight of 282.25 g/mol, XLogP of -2.69, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 173165930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).