2-aminobutanedioic acid;oxaldehydic acid

C6H9NO7 — CID 146197472

IUPAC2-aminobutanedioic acid;oxaldehydic acid
SMILESNC(CC(=O)O)C(=O)O.O=CC(=O)O
InChIInChI=1S/C4H7NO4.C2H2O3/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H,6,7)(H,8,9);1H,(H,4,5)
InChIKeyLAUWCWITZBDWSE-UHFFFAOYSA-N
MW207.14 g/mol
LogP-1.86
Rot. Bonds4

About 2-aminobutanedioic acid;oxaldehydic acid

2-aminobutanedioic acid;oxaldehydic acid (PubChem CID 146197472) has the molecular formula C6H9NO7 and a molecular weight of 207.14 g/mol. Its IUPAC name is 2-aminobutanedioic acid;oxaldehydic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;oxaldehydic acid
PubChem CID146197472
Molecular FormulaC6H9NO7
Molecular Weight207.14 g/mol
Exact Mass207.04
IUPAC Name2-aminobutanedioic acid;oxaldehydic acid
SMILESNC(CC(=O)O)C(=O)O.O=CC(=O)O
InChIInChI=1S/C4H7NO4.C2H2O3/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H,6,7)(H,8,9);1H,(H,4,5)
InChIKeyLAUWCWITZBDWSE-UHFFFAOYSA-N
XLogP-1.86
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminobutanedioic acid;but-2-enedioic acid
CID 173065727
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
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
CID 173060561
CID 173060561
2-aminobutanedioic acid;carbamic acid
CID 87364941

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;oxaldehydic acid?
The IUPAC name of 2-aminobutanedioic acid;oxaldehydic acid (CID 146197472) is 2-aminobutanedioic acid;oxaldehydic acid.
What is the SMILES notation for 2-aminobutanedioic acid;oxaldehydic acid?
The canonical SMILES for 2-aminobutanedioic acid;oxaldehydic acid is NC(CC(=O)O)C(=O)O.O=CC(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;oxaldehydic acid?
The InChIKey is LAUWCWITZBDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.C2H2O3/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H,6,7)(H,8,9);1H,(H,4,5).
What are the key properties of 2-aminobutanedioic acid;oxaldehydic acid?
2-aminobutanedioic acid;oxaldehydic acid has a molecular weight of 207.14 g/mol, XLogP of -1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;oxaldehydic acid is sourced from PubChem (CID 146197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).