2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid

C9H17N3O7 — CID 19775744

IUPAC2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyRGOIEYAZJSYLJT-UHFFFAOYSA-N
MW279.25 g/mol
LogP-2.46
Rot. Bonds7

About 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid

2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 19775744) has the molecular formula C9H17N3O7 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
PubChem CID19775744
Molecular FormulaC9H17N3O7
Molecular Weight279.25 g/mol
Exact Mass279.11
IUPAC Name2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.NC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyRGOIEYAZJSYLJT-UHFFFAOYSA-N
XLogP-2.46
TPSA207.03 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.25
LogP ≤ 5-2.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid (CID 19775744) is 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid?
The InChIKey is RGOIEYAZJSYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid?
2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 279.25 g/mol, XLogP of -2.46, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 19775744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).