5-azaniumyl-4-oxopentanoate

C5H9NO3 — CID 7048523

💊View drug profile → aminolevulinic acid
IUPAC5-azaniumyl-4-oxopentanoate
SMILES[NH3+]CC(=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
InChIKeyZGXJTSGNIOSYLO-UHFFFAOYSA-N
MW131.13 g/mol
LogP-2.67
Rot. Bonds4

About 5-azaniumyl-4-oxopentanoate

5-azaniumyl-4-oxopentanoate (PubChem CID 7048523) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-azaniumyl-4-oxopentanoate.

Molecular Properties

Compound Name5-azaniumyl-4-oxopentanoate
PubChem CID7048523
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-azaniumyl-4-oxopentanoate
SMILES[NH3+]CC(=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
InChIKeyZGXJTSGNIOSYLO-UHFFFAOYSA-N
XLogP-2.67
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-azaniumyl-4-oxopentanoate?
The IUPAC name of 5-azaniumyl-4-oxopentanoate (CID 7048523) is 5-azaniumyl-4-oxopentanoate.
What is the SMILES notation for 5-azaniumyl-4-oxopentanoate?
The canonical SMILES for 5-azaniumyl-4-oxopentanoate is [NH3+]CC(=O)CCC(=O)[O-].
What is the InChIKey of 5-azaniumyl-4-oxopentanoate?
The InChIKey is ZGXJTSGNIOSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9).
What are the key properties of 5-azaniumyl-4-oxopentanoate?
5-azaniumyl-4-oxopentanoate has a molecular weight of 131.13 g/mol, XLogP of -2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaniumyl-4-oxopentanoate is sourced from PubChem (CID 7048523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).