4,5-dioxo-5-(propylamino)pentanoic acid

C8H13NO4 — CID 14306115

IUPAC4,5-dioxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-2-5-9-8(13)6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyFDWZXIVPFFWNIH-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.05
Rot. Bonds6

About 4,5-dioxo-5-(propylamino)pentanoic acid

4,5-dioxo-5-(propylamino)pentanoic acid (PubChem CID 14306115) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4,5-dioxo-5-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4,5-dioxo-5-(propylamino)pentanoic acid
PubChem CID14306115
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4,5-dioxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-2-5-9-8(13)6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyFDWZXIVPFFWNIH-UHFFFAOYSA-N
XLogP-0.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dioxo-5-(propylamino)pentanoic acid?
The IUPAC name of 4,5-dioxo-5-(propylamino)pentanoic acid (CID 14306115) is 4,5-dioxo-5-(propylamino)pentanoic acid.
What is the SMILES notation for 4,5-dioxo-5-(propylamino)pentanoic acid?
The canonical SMILES for 4,5-dioxo-5-(propylamino)pentanoic acid is CCCNC(=O)C(=O)CCC(=O)O.
What is the InChIKey of 4,5-dioxo-5-(propylamino)pentanoic acid?
The InChIKey is FDWZXIVPFFWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-5-9-8(13)6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 4,5-dioxo-5-(propylamino)pentanoic acid?
4,5-dioxo-5-(propylamino)pentanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioxo-5-(propylamino)pentanoic acid is sourced from PubChem (CID 14306115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).