ethyl 3-(carbamoylamino)propanoate

C6H12N2O3 — CID 3613685

IUPACethyl 3-(carbamoylamino)propanoate
SMILESCCOC(=O)CCNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-11-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyBYCFJYNUBNQNIY-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.39
Rot. Bonds4

About ethyl 3-(carbamoylamino)propanoate

ethyl 3-(carbamoylamino)propanoate (PubChem CID 3613685) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl 3-(carbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(carbamoylamino)propanoate
PubChem CID3613685
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameethyl 3-(carbamoylamino)propanoate
SMILESCCOC(=O)CCNC(N)=O
InChIInChI=1S/C6H12N2O3/c1-2-11-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10)
InChIKeyBYCFJYNUBNQNIY-UHFFFAOYSA-N
XLogP-0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(carbamoylamino)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 3-(carbamoylamino)propanoate?
The IUPAC name of ethyl 3-(carbamoylamino)propanoate (CID 3613685) is ethyl 3-(carbamoylamino)propanoate.
What is the SMILES notation for ethyl 3-(carbamoylamino)propanoate?
The canonical SMILES for ethyl 3-(carbamoylamino)propanoate is CCOC(=O)CCNC(N)=O.
What is the InChIKey of ethyl 3-(carbamoylamino)propanoate?
The InChIKey is BYCFJYNUBNQNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-2-11-5(9)3-4-8-6(7)10/h2-4H2,1H3,(H3,7,8,10).
What are the key properties of ethyl 3-(carbamoylamino)propanoate?
ethyl 3-(carbamoylamino)propanoate has a molecular weight of 160.17 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(carbamoylamino)propanoate is sourced from PubChem (CID 3613685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).