methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate

C12H23NO2 — CID 80706394

IUPACmethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-11(2)7-6-9(8-11)13-12(3,4)10(14)15-5/h9,13H,6-8H2,1-5H3
InChIKeyGQRUILRFLSEDMZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate

methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate (PubChem CID 80706394) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
PubChem CID80706394
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-11(2)7-6-9(8-11)13-12(3,4)10(14)15-5/h9,13H,6-8H2,1-5H3
InChIKeyGQRUILRFLSEDMZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate (CID 80706394) is methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1CCC(C)(C)C1.
What is the InChIKey of methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The InChIKey is GQRUILRFLSEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)7-6-9(8-11)13-12(3,4)10(14)15-5/h9,13H,6-8H2,1-5H3.
What are the key properties of methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate is sourced from PubChem (CID 80706394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).