2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid

C12H23N3O10 — CID 175609716

IUPAC2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H7NO4.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)
InChIKeyVWUULXJFQDAYAQ-UHFFFAOYSA-N
MW369.33 g/mol
LogP-2.45
Rot. Bonds8

About 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid

2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid (PubChem CID 175609716) has the molecular formula C12H23N3O10 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
PubChem CID175609716
Molecular FormulaC12H23N3O10
Molecular Weight369.33 g/mol
Exact Mass369.14
IUPAC Name2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C4H7NO4.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)
InChIKeyVWUULXJFQDAYAQ-UHFFFAOYSA-N
XLogP-2.45
TPSA264.56 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.33
LogP ≤ 5-2.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
2-aminobutanedioic acid;bis(2-aminopropanoic acid)
CID 154929079
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 173152121
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid?
The IUPAC name of 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid (CID 175609716) is 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid?
The canonical SMILES for 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid is CC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid?
The InChIKey is VWUULXJFQDAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C4H7NO4.C3H7NO2/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid?
2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid has a molecular weight of 369.33 g/mol, XLogP of -2.45, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid is sourced from PubChem (CID 175609716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).