(2S)-2-aminobutanedioic acid;3-aminopropanoic acid

C7H14N2O6 — CID 89158281

IUPAC(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
SMILESNCCC(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.C3H7NO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6)/t2-;/m0./s1
InChIKeyKFGMDFVFAVPYKT-DKWTVANSSA-N
MW222.20 g/mol
LogP-1.71
Rot. Bonds5

About (2S)-2-aminobutanedioic acid;3-aminopropanoic acid

(2S)-2-aminobutanedioic acid;3-aminopropanoic acid (PubChem CID 89158281) has the molecular formula C7H14N2O6 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;3-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
PubChem CID89158281
Molecular FormulaC7H14N2O6
Molecular Weight222.20 g/mol
Exact Mass222.09
IUPAC Name(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
SMILESNCCC(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.C3H7NO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6)/t2-;/m0./s1
InChIKeyKFGMDFVFAVPYKT-DKWTVANSSA-N
XLogP-1.71
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-aminobutanedioic acid;3-aminopropanoic 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;3-aminopropanoic acid;carbon dioxide
CID 159799317
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
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
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;3-aminopropanoic acid?
The IUPAC name of (2S)-2-aminobutanedioic acid;3-aminopropanoic acid (CID 89158281) is (2S)-2-aminobutanedioic acid;3-aminopropanoic acid.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;3-aminopropanoic acid?
The canonical SMILES for (2S)-2-aminobutanedioic acid;3-aminopropanoic acid is NCCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminobutanedioic acid;3-aminopropanoic acid?
The InChIKey is KFGMDFVFAVPYKT-DKWTVANSSA-N. The full InChI is InChI=1S/C4H7NO4.C3H7NO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6)/t2-;/m0./s1.
What are the key properties of (2S)-2-aminobutanedioic acid;3-aminopropanoic acid?
(2S)-2-aminobutanedioic acid;3-aminopropanoic acid has a molecular weight of 222.20 g/mol, XLogP of -1.71, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;3-aminopropanoic acid is sourced from PubChem (CID 89158281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).