2-aminobutanedioic acid;bis(2-aminopropanoic acid)

C10H21N3O8 — CID 154929079

IUPAC2-aminobutanedioic acid;bis(2-aminopropanoic acid)
SMILESCC(N)C(=O)O.CC(N)C(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.2C3H7NO2/c5-2(4(8)9)1-3(6)7;2*1-2(4)3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);2*2H,4H2,1H3,(H,5,6)
InChIKeyJZQSWARDGJQWLY-UHFFFAOYSA-N
MW311.29 g/mol
LogP-2.29
Rot. Bonds5

About 2-aminobutanedioic acid;bis(2-aminopropanoic acid)

2-aminobutanedioic acid;bis(2-aminopropanoic acid) (PubChem CID 154929079) has the molecular formula C10H21N3O8 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-aminobutanedioic acid;bis(2-aminopropanoic acid).

Molecular Properties

Compound Name2-aminobutanedioic acid;bis(2-aminopropanoic acid)
PubChem CID154929079
Molecular FormulaC10H21N3O8
Molecular Weight311.29 g/mol
Exact Mass311.13
IUPAC Name2-aminobutanedioic acid;bis(2-aminopropanoic acid)
SMILESCC(N)C(=O)O.CC(N)C(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4.2C3H7NO2/c5-2(4(8)9)1-3(6)7;2*1-2(4)3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);2*2H,4H2,1H3,(H,5,6)
InChIKeyJZQSWARDGJQWLY-UHFFFAOYSA-N
XLogP-2.29
TPSA227.26 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.29
LogP ≤ 5-2.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-aminobutanedioic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);(2S)-2-aminopropanoic acid
CID 173370164
2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
CID 175609716
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
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

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;bis(2-aminopropanoic acid)?
The IUPAC name of 2-aminobutanedioic acid;bis(2-aminopropanoic acid) (CID 154929079) is 2-aminobutanedioic acid;bis(2-aminopropanoic acid).
What is the SMILES notation for 2-aminobutanedioic acid;bis(2-aminopropanoic acid)?
The canonical SMILES for 2-aminobutanedioic acid;bis(2-aminopropanoic acid) is CC(N)C(=O)O.CC(N)C(=O)O.NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;bis(2-aminopropanoic acid)?
The InChIKey is JZQSWARDGJQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.2C3H7NO2/c5-2(4(8)9)1-3(6)7;2*1-2(4)3(5)6/h2H,1,5H2,(H,6,7)(H,8,9);2*2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminobutanedioic acid;bis(2-aminopropanoic acid)?
2-aminobutanedioic acid;bis(2-aminopropanoic acid) has a molecular weight of 311.29 g/mol, XLogP of -2.29, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;bis(2-aminopropanoic acid) is sourced from PubChem (CID 154929079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).