ethyl 2-(ethoxycarbonylamino)propanoate

C8H15NO4 — CID 6422303

IUPACethyl 2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(C)C(=O)OCC
InChIInChI=1S/C8H15NO4/c1-4-12-7(10)6(3)9-8(11)13-5-2/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyOMECLFTURFUIIJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds4

About ethyl 2-(ethoxycarbonylamino)propanoate

ethyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422303) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422303
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(C)C(=O)OCC
InChIInChI=1S/C8H15NO4/c1-4-12-7(10)6(3)9-8(11)13-5-2/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyOMECLFTURFUIIJ-UHFFFAOYSA-N
XLogP0.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(ethoxycarbonylamino)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)propanoate (CID 6422303) is ethyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)propanoate is CCOC(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is OMECLFTURFUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-7(10)6(3)9-8(11)13-5-2/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of ethyl 2-(ethoxycarbonylamino)propanoate?
ethyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 189.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).