ethyl 3-(cyclopropylamino)prop-2-enoate

C8H13NO2 — CID 53428729

IUPACethyl 3-(cyclopropylamino)prop-2-enoate
SMILESCCOC(=O)C=CNC1CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h5-7,9H,2-4H2,1H3
InChIKeyGCVNGUWEVLMYAJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds4

About ethyl 3-(cyclopropylamino)prop-2-enoate

ethyl 3-(cyclopropylamino)prop-2-enoate (PubChem CID 53428729) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)prop-2-enoate
PubChem CID53428729
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 3-(cyclopropylamino)prop-2-enoate
SMILESCCOC(=O)C=CNC1CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h5-7,9H,2-4H2,1H3
InChIKeyGCVNGUWEVLMYAJ-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)prop-2-enoate?
The IUPAC name of ethyl 3-(cyclopropylamino)prop-2-enoate (CID 53428729) is ethyl 3-(cyclopropylamino)prop-2-enoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)prop-2-enoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)prop-2-enoate is CCOC(=O)C=CNC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylamino)prop-2-enoate?
The InChIKey is GCVNGUWEVLMYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 3-(cyclopropylamino)prop-2-enoate?
ethyl 3-(cyclopropylamino)prop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)prop-2-enoate is sourced from PubChem (CID 53428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).