methyl 3-(cyclopropylamino)prop-2-enoate

C7H11NO2 — CID 70393244

IUPACmethyl 3-(cyclopropylamino)prop-2-enoate
SMILESCOC(=O)C=CNC1CC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h4-6,8H,2-3H2,1H3
InChIKeyZNWOGGJMSYSKHX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds3

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

methyl 3-(cyclopropylamino)prop-2-enoate (PubChem CID 70393244) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)prop-2-enoate
PubChem CID70393244
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 3-(cyclopropylamino)prop-2-enoate
SMILESCOC(=O)C=CNC1CC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h4-6,8H,2-3H2,1H3
InChIKeyZNWOGGJMSYSKHX-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
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 methyl 3-(cyclopropylamino)prop-2-enoate?
The IUPAC name of methyl 3-(cyclopropylamino)prop-2-enoate (CID 70393244) is methyl 3-(cyclopropylamino)prop-2-enoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)prop-2-enoate?
The canonical SMILES for methyl 3-(cyclopropylamino)prop-2-enoate is COC(=O)C=CNC1CC1.
What is the InChIKey of methyl 3-(cyclopropylamino)prop-2-enoate?
The InChIKey is ZNWOGGJMSYSKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)4-5-8-6-2-3-6/h4-6,8H,2-3H2,1H3.
What are the key properties of methyl 3-(cyclopropylamino)prop-2-enoate?
methyl 3-(cyclopropylamino)prop-2-enoate has a molecular weight of 141.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)prop-2-enoate is sourced from PubChem (CID 70393244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).