methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate

C15H26N2O2 — CID 63911160

IUPACmethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCNC(CN1CC2CCC1C2)(C(=O)OC)C1CC1
InChIInChI=1S/C15H26N2O2/c1-3-16-15(12-5-6-12,14(18)19-2)10-17-9-11-4-7-13(17)8-11/h11-13,16H,3-10H2,1-2H3
InChIKeyGPIBCJDYOYBQHA-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds6

About methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate

methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate (PubChem CID 63911160) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate
PubChem CID63911160
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namemethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCNC(CN1CC2CCC1C2)(C(=O)OC)C1CC1
InChIInChI=1S/C15H26N2O2/c1-3-16-15(12-5-6-12,14(18)19-2)10-17-9-11-4-7-13(17)8-11/h11-13,16H,3-10H2,1-2H3
InChIKeyGPIBCJDYOYBQHA-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate?
The IUPAC name of methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate (CID 63911160) is methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate?
The canonical SMILES for methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate is CCNC(CN1CC2CCC1C2)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate?
The InChIKey is GPIBCJDYOYBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-16-15(12-5-6-12,14(18)19-2)10-17-9-11-4-7-13(17)8-11/h11-13,16H,3-10H2,1-2H3.
What are the key properties of methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate?
methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate has a molecular weight of 266.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate is sourced from PubChem (CID 63911160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).