2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide

C8H14N2O8 — CID 159799317

IUPAC2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide
SMILESNC(CC(=O)O)C(=O)O.NCCC(=O)O.O=C=O
InChIInChI=1S/C4H7NO4.C3H7NO2.CO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6;2-1-3/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6);
InChIKeyNJOUOHYONBJTGE-UHFFFAOYSA-N
MW266.21 g/mol
LogP-2.29
Rot. Bonds5

About 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide

2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide (PubChem CID 159799317) has the molecular formula C8H14N2O8 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide.

Molecular Properties

Compound Name2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide
PubChem CID159799317
Molecular FormulaC8H14N2O8
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide
SMILESNC(CC(=O)O)C(=O)O.NCCC(=O)O.O=C=O
InChIInChI=1S/C4H7NO4.C3H7NO2.CO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6;2-1-3/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6);
InChIKeyNJOUOHYONBJTGE-UHFFFAOYSA-N
XLogP-2.29
TPSA198.08 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
CID 89158281
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
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
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide?
The IUPAC name of 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide (CID 159799317) is 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide.
What is the SMILES notation for 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide?
The canonical SMILES for 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide is NC(CC(=O)O)C(=O)O.NCCC(=O)O.O=C=O.
What is the InChIKey of 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide?
The InChIKey is NJOUOHYONBJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.C3H7NO2.CO2/c5-2(4(8)9)1-3(6)7;4-2-1-3(5)6;2-1-3/h2H,1,5H2,(H,6,7)(H,8,9);1-2,4H2,(H,5,6);.
What are the key properties of 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide?
2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide has a molecular weight of 266.21 g/mol, XLogP of -2.29, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;3-aminopropanoic acid;carbon dioxide is sourced from PubChem (CID 159799317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).