methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate

C14H26N2O2 — CID 63382875

IUPACmethyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCCCCC1CN
InChIInChI=1S/C14H26N2O2/c1-18-14(17)13-8-5-9-16(13)12-7-4-2-3-6-11(12)10-15/h11-13H,2-10,15H2,1H3
InChIKeyLHSSBPCYABSHDT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds3

About methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate

methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate (PubChem CID 63382875) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
PubChem CID63382875
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C1CCCCCC1CN
InChIInChI=1S/C14H26N2O2/c1-18-14(17)13-8-5-9-16(13)12-7-4-2-3-6-11(12)10-15/h11-13H,2-10,15H2,1H3
InChIKeyLHSSBPCYABSHDT-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
tert-butyl (2R)-1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537695
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433
ethyl 1-(2-hydroxycyclohexyl)pyrrolidine-2-carboxylate
CID 62028179
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 62027090

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate (CID 63382875) is methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C1CCCCCC1CN.
What is the InChIKey of methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate?
The InChIKey is LHSSBPCYABSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-14(17)13-8-5-9-16(13)12-7-4-2-3-6-11(12)10-15/h11-13H,2-10,15H2,1H3.
What are the key properties of methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 63382875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).