aluminum 2,5-diamino-5-oxopentanoic acid

C5H10AlN2O3+3 — CID 20532187

IUPACaluminum 2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.[Al+3]
InChIInChI=1S/C5H10N2O3.Al/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H2,7,8)(H,9,10);/q;+3
InChIKeyBPAXQLROAGQVQP-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.72
Rot. Bonds4

About aluminum 2,5-diamino-5-oxopentanoic acid

aluminum 2,5-diamino-5-oxopentanoic acid (PubChem CID 20532187) has the molecular formula C5H10AlN2O3+3 and a molecular weight of 173.13 g/mol. Its IUPAC name is aluminum 2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Namealuminum 2,5-diamino-5-oxopentanoic acid
PubChem CID20532187
Molecular FormulaC5H10AlN2O3+3
Molecular Weight173.13 g/mol
Exact Mass173.05
IUPAC Namealuminum 2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CCC(N)C(=O)O.[Al+3]
InChIInChI=1S/C5H10N2O3.Al/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H2,7,8)(H,9,10);/q;+3
InChIKeyBPAXQLROAGQVQP-UHFFFAOYSA-N
XLogP-1.72
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
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;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452

Frequently Asked Questions

What is the IUPAC name of aluminum 2,5-diamino-5-oxopentanoic acid?
The IUPAC name of aluminum 2,5-diamino-5-oxopentanoic acid (CID 20532187) is aluminum 2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for aluminum 2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for aluminum 2,5-diamino-5-oxopentanoic acid is NC(=O)CCC(N)C(=O)O.[Al+3].
What is the InChIKey of aluminum 2,5-diamino-5-oxopentanoic acid?
The InChIKey is BPAXQLROAGQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.Al/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H2,7,8)(H,9,10);/q;+3.
What are the key properties of aluminum 2,5-diamino-5-oxopentanoic acid?
aluminum 2,5-diamino-5-oxopentanoic acid has a molecular weight of 173.13 g/mol, XLogP of -1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum 2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 20532187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).