ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate

C10H19N3O4 — CID 88563053

IUPACethyl 3-(2-acetamidoethylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-9(15)4-5-12-10(16)13-7-6-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H2,12,13,16)
InChIKeyVOPRLMCGKPGAJR-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.63
Rot. Bonds7

About ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate

ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate (PubChem CID 88563053) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-acetamidoethylcarbamoylamino)propanoate
PubChem CID88563053
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl 3-(2-acetamidoethylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-9(15)4-5-12-10(16)13-7-6-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H2,12,13,16)
InChIKeyVOPRLMCGKPGAJR-UHFFFAOYSA-N
XLogP-0.63
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-(2-acetamidoethylcarbamoylamino)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-(2-acetamidoethylcarbamoylamino)propanoate?
The IUPAC name of ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate (CID 88563053) is ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate?
The canonical SMILES for ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate is CCOC(=O)CCNC(=O)NCCNC(C)=O.
What is the InChIKey of ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate?
The InChIKey is VOPRLMCGKPGAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-17-9(15)4-5-12-10(16)13-7-6-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H2,12,13,16).
What are the key properties of ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate?
ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate has a molecular weight of 245.28 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-acetamidoethylcarbamoylamino)propanoate is sourced from PubChem (CID 88563053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).