2-aminobutanedioic acid;selane

C4H9NO4Se — CID 174828111

IUPAC2-aminobutanedioic acid;selane
SMILESNC(CC(=O)O)C(=O)O.[SeH2]
InChIInChI=1S/C4H7NO4.H2Se/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H2
InChIKeyMIFBZHFINSDZJA-UHFFFAOYSA-N
MW214.08 g/mol
LogP-2.04
Rot. Bonds3

About 2-aminobutanedioic acid;selane

2-aminobutanedioic acid;selane (PubChem CID 174828111) has the molecular formula C4H9NO4Se and a molecular weight of 214.08 g/mol. Its IUPAC name is 2-aminobutanedioic acid;selane.

Molecular Properties

Compound Name2-aminobutanedioic acid;selane
PubChem CID174828111
Molecular FormulaC4H9NO4Se
Molecular Weight214.08 g/mol
Exact Mass214.97
IUPAC Name2-aminobutanedioic acid;selane
SMILESNC(CC(=O)O)C(=O)O.[SeH2]
InChIInChI=1S/C4H7NO4.H2Se/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H2
InChIKeyMIFBZHFINSDZJA-UHFFFAOYSA-N
XLogP-2.04
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
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 2-aminobutanedioic acid;selane?
The IUPAC name of 2-aminobutanedioic acid;selane (CID 174828111) is 2-aminobutanedioic acid;selane.
What is the SMILES notation for 2-aminobutanedioic acid;selane?
The canonical SMILES for 2-aminobutanedioic acid;selane is NC(CC(=O)O)C(=O)O.[SeH2].
What is the InChIKey of 2-aminobutanedioic acid;selane?
The InChIKey is MIFBZHFINSDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.H2Se/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);1H2.
What are the key properties of 2-aminobutanedioic acid;selane?
2-aminobutanedioic acid;selane has a molecular weight of 214.08 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;selane is sourced from PubChem (CID 174828111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).