ethyl 2-oxo-2-(propylamino)acetate

C7H13NO3 — CID 3412779

IUPACethyl 2-oxo-2-(propylamino)acetate
SMILESCCCNC(=O)C(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-5-8-6(9)7(10)11-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyFAHKAKRNEJWVNP-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.08
Rot. Bonds3

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

ethyl 2-oxo-2-(propylamino)acetate (PubChem CID 3412779) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-oxo-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(propylamino)acetate
PubChem CID3412779
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-oxo-2-(propylamino)acetate
SMILESCCCNC(=O)C(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-5-8-6(9)7(10)11-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyFAHKAKRNEJWVNP-UHFFFAOYSA-N
XLogP0.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-(propylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyloxalylglycine
CID 560326
Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
5,6-Dimethylmorpholine-2,3-dione
CID 3469206
2-Acetamidoethyl acetate
CID 85319
Methyl (propionylamino)acetate
CID 533879
N-Ethoxyacetylglycine
CID 134082
Ethyl 2-(methylamino)-2-oxoacetate
CID 3413434
Ethyl 2-(propylamino)acetate
CID 13454968
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
Oxamic Acid/Ester, 25
CID 16112059
N-butyl oxamate
CID 25767881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(propylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(propylamino)acetate (CID 3412779) is ethyl 2-oxo-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(propylamino)acetate is CCCNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-2-(propylamino)acetate?
The InChIKey is FAHKAKRNEJWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-5-8-6(9)7(10)11-4-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl 2-oxo-2-(propylamino)acetate?
ethyl 2-oxo-2-(propylamino)acetate has a molecular weight of 159.18 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(propylamino)acetate is sourced from PubChem (CID 3412779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).