(4-oxopentanoylamino) formate

C6H9NO4 — CID 138612220

IUPAC(4-oxopentanoylamino) formate
SMILESCC(=O)CCC(=O)NOC=O
InChIInChI=1S/C6H9NO4/c1-5(9)2-3-6(10)7-11-4-8/h4H,2-3H2,1H3,(H,7,10)
InChIKeyOXUXNBPXYYUNCS-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.44
Rot. Bonds5

About (4-oxopentanoylamino) formate

(4-oxopentanoylamino) formate (PubChem CID 138612220) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (4-oxopentanoylamino) formate.

Molecular Properties

Compound Name(4-oxopentanoylamino) formate
PubChem CID138612220
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(4-oxopentanoylamino) formate
SMILESCC(=O)CCC(=O)NOC=O
InChIInChI=1S/C6H9NO4/c1-5(9)2-3-6(10)7-11-4-8/h4H,2-3H2,1H3,(H,7,10)
InChIKeyOXUXNBPXYYUNCS-UHFFFAOYSA-N
XLogP-0.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-oxopentanoylamino) formate?
The IUPAC name of (4-oxopentanoylamino) formate (CID 138612220) is (4-oxopentanoylamino) formate.
What is the SMILES notation for (4-oxopentanoylamino) formate?
The canonical SMILES for (4-oxopentanoylamino) formate is CC(=O)CCC(=O)NOC=O.
What is the InChIKey of (4-oxopentanoylamino) formate?
The InChIKey is OXUXNBPXYYUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-5(9)2-3-6(10)7-11-4-8/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of (4-oxopentanoylamino) formate?
(4-oxopentanoylamino) formate has a molecular weight of 159.14 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopentanoylamino) formate is sourced from PubChem (CID 138612220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).