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

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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).