5-amino-4-oxopentanoate

C5H8NO3- — CID 16722119

IUPAC5-amino-4-oxopentanoate
SMILESNCC(=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p-1
InChIKeyZGXJTSGNIOSYLO-UHFFFAOYSA-M
MW130.12 g/mol
LogP-1.96
Rot. Bonds4

About 5-amino-4-oxopentanoate

5-amino-4-oxopentanoate (PubChem CID 16722119) has the molecular formula C5H8NO3- and a molecular weight of 130.12 g/mol. Its IUPAC name is 5-amino-4-oxopentanoate.

Molecular Properties

Compound Name5-amino-4-oxopentanoate
PubChem CID16722119
Molecular FormulaC5H8NO3-
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name5-amino-4-oxopentanoate
SMILESNCC(=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p-1
InChIKeyZGXJTSGNIOSYLO-UHFFFAOYSA-M
XLogP-1.96
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoate?
The IUPAC name of 5-amino-4-oxopentanoate (CID 16722119) is 5-amino-4-oxopentanoate.
What is the SMILES notation for 5-amino-4-oxopentanoate?
The canonical SMILES for 5-amino-4-oxopentanoate is NCC(=O)CCC(=O)[O-].
What is the InChIKey of 5-amino-4-oxopentanoate?
The InChIKey is ZGXJTSGNIOSYLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p-1.
What are the key properties of 5-amino-4-oxopentanoate?
5-amino-4-oxopentanoate has a molecular weight of 130.12 g/mol, XLogP of -1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoate is sourced from PubChem (CID 16722119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).