methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate

C10H17NO2 — CID 79889859

IUPACmethyl 3-[cyclopropyl(propyl)amino]prop-2-enoate
SMILESCCCN(C=CC(=O)OC)C1CC1
InChIInChI=1S/C10H17NO2/c1-3-7-11(9-4-5-9)8-6-10(12)13-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeySEEUFEXGZKDRON-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds5

About methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate

methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate (PubChem CID 79889859) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(propyl)amino]prop-2-enoate
PubChem CID79889859
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 3-[cyclopropyl(propyl)amino]prop-2-enoate
SMILESCCCN(C=CC(=O)OC)C1CC1
InChIInChI=1S/C10H17NO2/c1-3-7-11(9-4-5-9)8-6-10(12)13-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeySEEUFEXGZKDRON-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
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-[cyclopropyl(propyl)amino]prop-2-enoate?
The IUPAC name of methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate (CID 79889859) is methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate?
The canonical SMILES for methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate is CCCN(C=CC(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate?
The InChIKey is SEEUFEXGZKDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-7-11(9-4-5-9)8-6-10(12)13-2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate?
methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(propyl)amino]prop-2-enoate is sourced from PubChem (CID 79889859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).