methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate

C12H23NO3 — CID 106940181

IUPACmethyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COC1CCCC1CN
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15-3)8-16-10-6-4-5-9(10)7-13/h9-10H,4-8,13H2,1-3H3
InChIKeyWPAKUQDAQWSPJY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds5

About methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate

methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate (PubChem CID 106940181) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate
PubChem CID106940181
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COC1CCCC1CN
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15-3)8-16-10-6-4-5-9(10)7-13/h9-10H,4-8,13H2,1-3H3
InChIKeyWPAKUQDAQWSPJY-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)cyclopentyl] methyl carbonate
CID 79336951
(2-methoxycyclopentyl)methanamine
CID 43428752
[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580
[2-(ethoxymethoxy)cyclopentyl]methanamine
CID 106938405
[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
CID 79338482
[2-(2-ethoxyethoxy)cyclopentyl]methanamine
CID 43428799
methyl 2,2-dimethyl-3-[4-(trifluoromethylsulfonyloxy)cyclohexyl]oxypropanoate
CID 126611132
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
CID 79622008

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate (CID 106940181) is methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate is COC(=O)C(C)(C)COC1CCCC1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate?
The InChIKey is WPAKUQDAQWSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,11(14)15-3)8-16-10-6-4-5-9(10)7-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate?
methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)cyclopentyl]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 106940181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).