methyl 2-[1-(aminomethyl)cycloheptyl]acetate

C11H21NO2 — CID 22065262

IUPACmethyl 2-[1-(aminomethyl)cycloheptyl]acetate
SMILESCOC(=O)CC1(CN)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-14-10(13)8-11(9-12)6-4-2-3-5-7-11/h2-9,12H2,1H3
InChIKeyBPUUTTKHBSNDRT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-[1-(aminomethyl)cycloheptyl]acetate

methyl 2-[1-(aminomethyl)cycloheptyl]acetate (PubChem CID 22065262) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-[1-(aminomethyl)cycloheptyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(aminomethyl)cycloheptyl]acetate
PubChem CID22065262
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-[1-(aminomethyl)cycloheptyl]acetate
SMILESCOC(=O)CC1(CN)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-14-10(13)8-11(9-12)6-4-2-3-5-7-11/h2-9,12H2,1H3
InChIKeyBPUUTTKHBSNDRT-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(aminomethyl)cycloheptyl]acetate?
The IUPAC name of methyl 2-[1-(aminomethyl)cycloheptyl]acetate (CID 22065262) is methyl 2-[1-(aminomethyl)cycloheptyl]acetate.
What is the SMILES notation for methyl 2-[1-(aminomethyl)cycloheptyl]acetate?
The canonical SMILES for methyl 2-[1-(aminomethyl)cycloheptyl]acetate is COC(=O)CC1(CN)CCCCCC1.
What is the InChIKey of methyl 2-[1-(aminomethyl)cycloheptyl]acetate?
The InChIKey is BPUUTTKHBSNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-10(13)8-11(9-12)6-4-2-3-5-7-11/h2-9,12H2,1H3.
What are the key properties of methyl 2-[1-(aminomethyl)cycloheptyl]acetate?
methyl 2-[1-(aminomethyl)cycloheptyl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(aminomethyl)cycloheptyl]acetate is sourced from PubChem (CID 22065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).