azanium (2S)-2-aminobutanedioic acid

C4H11N2O4+ — CID 10130050

IUPACazanium (2S)-2-aminobutanedioic acid
SMILESN[C@@H](CC(=O)O)C(=O)O.[NH4+]
InChIInChI=1S/C4H7NO4.H3N/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H3/p+1/t2-;/m0./s1
InChIKeyBFXUWDKAQDARCA-DKWTVANSSA-O
MW151.14 g/mol
LogP-0.75
Rot. Bonds3

About azanium (2S)-2-aminobutanedioic acid

azanium (2S)-2-aminobutanedioic acid (PubChem CID 10130050) has the molecular formula C4H11N2O4+ and a molecular weight of 151.14 g/mol. Its IUPAC name is azanium (2S)-2-aminobutanedioic acid.

Molecular Properties

Compound Nameazanium (2S)-2-aminobutanedioic acid
PubChem CID10130050
Molecular FormulaC4H11N2O4+
Molecular Weight151.14 g/mol
Exact Mass151.07
IUPAC Nameazanium (2S)-2-aminobutanedioic acid
SMILESN[C@@H](CC(=O)O)C(=O)O.[NH4+]
InChIInChI=1S/C4H7NO4.H3N/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H3/p+1/t2-;/m0./s1
InChIKeyBFXUWDKAQDARCA-DKWTVANSSA-O
XLogP-0.75
TPSA137.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
2-aminobutanedioic acid;carbamic acid
CID 87364941
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561
CID 172728144
CID 172728144

Frequently Asked Questions

What is the IUPAC name of azanium (2S)-2-aminobutanedioic acid?
The IUPAC name of azanium (2S)-2-aminobutanedioic acid (CID 10130050) is azanium (2S)-2-aminobutanedioic acid.
What is the SMILES notation for azanium (2S)-2-aminobutanedioic acid?
The canonical SMILES for azanium (2S)-2-aminobutanedioic acid is N[C@@H](CC(=O)O)C(=O)O.[NH4+].
What is the InChIKey of azanium (2S)-2-aminobutanedioic acid?
The InChIKey is BFXUWDKAQDARCA-DKWTVANSSA-O. The full InChI is InChI=1S/C4H7NO4.H3N/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H3/p+1/t2-;/m0./s1.
What are the key properties of azanium (2S)-2-aminobutanedioic acid?
azanium (2S)-2-aminobutanedioic acid has a molecular weight of 151.14 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2S)-2-aminobutanedioic acid is sourced from PubChem (CID 10130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).