5-amino-4-oxopentanoic acid

C5H9NO3 — CID 137

💊View drug profile → aminolevulinic acid
IUPAC5-amino-4-oxopentanoic acid
SMILESNCC(=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-0.62
Rot. Bonds4

About 5-amino-4-oxopentanoic acid

5-amino-4-oxopentanoic acid (PubChem CID 137) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-amino-4-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-4-oxopentanoic acid
PubChem CID137
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-amino-4-oxopentanoic acid
SMILESNCC(=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-0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Aminolevulinic Acid Hydrochloride
CID 123608
5-Aminovaleric acid
CID 138
Methyl Aminolevulinate Hydrochloride
CID 157921
Methyl Aminolevulinate
CID 157922
5-Azaniumyl-4-oxopentanoate
CID 7048523
5-Amino-2-oxopentanoic acid
CID 439402
Aminolevulinic acid phosphate
CID 24737828
Methyl 5-amino-4-oxovalerate hydrochloride
CID 3036828
5-Ammoniolevulinic acid
CID 12087606
CID 16722119
CID 16722119
Delta-Amino Valeric Acid
CID 449593
5-Amino-4-oxopentanoic acid;hydron;chloride
CID 71773380

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoic acid?
The IUPAC name of 5-amino-4-oxopentanoic acid (CID 137) is 5-amino-4-oxopentanoic acid.
What is the SMILES notation for 5-amino-4-oxopentanoic acid?
The canonical SMILES for 5-amino-4-oxopentanoic acid is NCC(=O)CCC(=O)O.
What is the InChIKey of 5-amino-4-oxopentanoic acid?
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-amino-4-oxopentanoic acid?
5-amino-4-oxopentanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoic acid is sourced from PubChem (CID 137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).