2-aminobutanedioic acid;2-hydroxybutanedioic acid

C8H13NO9 — CID 87166699

IUPAC2-aminobutanedioic acid;2-hydroxybutanedioic acid
SMILESNC(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H7NO4.C4H6O5/c2*5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyNBIPQJXKGATNAC-UHFFFAOYSA-N
MW267.19 g/mol
LogP-2.22
Rot. Bonds6

About 2-aminobutanedioic acid;2-hydroxybutanedioic acid

2-aminobutanedioic acid;2-hydroxybutanedioic acid (PubChem CID 87166699) has the molecular formula C8H13NO9 and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-aminobutanedioic acid;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;2-hydroxybutanedioic acid
PubChem CID87166699
Molecular FormulaC8H13NO9
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Name2-aminobutanedioic acid;2-hydroxybutanedioic acid
SMILESNC(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H7NO4.C4H6O5/c2*5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyNBIPQJXKGATNAC-UHFFFAOYSA-N
XLogP-2.22
TPSA195.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.19
LogP ≤ 5-2.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
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

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;2-hydroxybutanedioic acid?
The IUPAC name of 2-aminobutanedioic acid;2-hydroxybutanedioic acid (CID 87166699) is 2-aminobutanedioic acid;2-hydroxybutanedioic acid.
What is the SMILES notation for 2-aminobutanedioic acid;2-hydroxybutanedioic acid?
The canonical SMILES for 2-aminobutanedioic acid;2-hydroxybutanedioic acid is NC(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;2-hydroxybutanedioic acid?
The InChIKey is NBIPQJXKGATNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.C4H6O5/c2*5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-aminobutanedioic acid;2-hydroxybutanedioic acid?
2-aminobutanedioic acid;2-hydroxybutanedioic acid has a molecular weight of 267.19 g/mol, XLogP of -2.22, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;2-hydroxybutanedioic acid is sourced from PubChem (CID 87166699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).