ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate

C12H23NO2 — CID 142620521

IUPACethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
SMILESCCOC(=O)C(N)C1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-11(14)10(13)9-6-5-7-12(2,3)8-9/h9-10H,4-8,13H2,1-3H3
InChIKeyCPEONEFDYLRCRB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds3

About ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate

ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate (PubChem CID 142620521) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
PubChem CID142620521
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
SMILESCCOC(=O)C(N)C1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-11(14)10(13)9-6-5-7-12(2,3)8-9/h9-10H,4-8,13H2,1-3H3
InChIKeyCPEONEFDYLRCRB-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate?
The IUPAC name of ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate (CID 142620521) is ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate is CCOC(=O)C(N)C1CCCC(C)(C)C1.
What is the InChIKey of ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate?
The InChIKey is CPEONEFDYLRCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-11(14)10(13)9-6-5-7-12(2,3)8-9/h9-10H,4-8,13H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate?
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate is sourced from PubChem (CID 142620521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).