propyl 2-oxo-2-(propylamino)acetate

C8H15NO3 — CID 6420314

IUPACpropyl 2-oxo-2-(propylamino)acetate
SMILESCCCNC(=O)C(=O)OCCC
InChIInChI=1S/C8H15NO3/c1-3-5-9-7(10)8(11)12-6-4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyFJOUYXCRHCSWSZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.47
Rot. Bonds4

About propyl 2-oxo-2-(propylamino)acetate

propyl 2-oxo-2-(propylamino)acetate (PubChem CID 6420314) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propyl 2-oxo-2-(propylamino)acetate.

Molecular Properties

Compound Namepropyl 2-oxo-2-(propylamino)acetate
PubChem CID6420314
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropyl 2-oxo-2-(propylamino)acetate
SMILESCCCNC(=O)C(=O)OCCC
InChIInChI=1S/C8H15NO3/c1-3-5-9-7(10)8(11)12-6-4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyFJOUYXCRHCSWSZ-UHFFFAOYSA-N
XLogP0.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
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 propyl 2-oxo-2-(propylamino)acetate?
The IUPAC name of propyl 2-oxo-2-(propylamino)acetate (CID 6420314) is propyl 2-oxo-2-(propylamino)acetate.
What is the SMILES notation for propyl 2-oxo-2-(propylamino)acetate?
The canonical SMILES for propyl 2-oxo-2-(propylamino)acetate is CCCNC(=O)C(=O)OCCC.
What is the InChIKey of propyl 2-oxo-2-(propylamino)acetate?
The InChIKey is FJOUYXCRHCSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-5-9-7(10)8(11)12-6-4-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of propyl 2-oxo-2-(propylamino)acetate?
propyl 2-oxo-2-(propylamino)acetate has a molecular weight of 173.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxo-2-(propylamino)acetate is sourced from PubChem (CID 6420314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).