(2-ethylcyclohexyl) 3-amino-2-methylpropanoate

C12H23NO2 — CID 62670786

IUPAC(2-ethylcyclohexyl) 3-amino-2-methylpropanoate
SMILESCCC1CCCCC1OC(=O)C(C)CN
InChIInChI=1S/C12H23NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyDBDBEBSBPMCYLV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds4

About (2-ethylcyclohexyl) 3-amino-2-methylpropanoate

(2-ethylcyclohexyl) 3-amino-2-methylpropanoate (PubChem CID 62670786) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-amino-2-methylpropanoate
PubChem CID62670786
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2-ethylcyclohexyl) 3-amino-2-methylpropanoate
SMILESCCC1CCCCC1OC(=O)C(C)CN
InChIInChI=1S/C12H23NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyDBDBEBSBPMCYLV-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 (2-ethylcyclohexyl) 3-amino-2-methylpropanoate?
The IUPAC name of (2-ethylcyclohexyl) 3-amino-2-methylpropanoate (CID 62670786) is (2-ethylcyclohexyl) 3-amino-2-methylpropanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-amino-2-methylpropanoate?
The canonical SMILES for (2-ethylcyclohexyl) 3-amino-2-methylpropanoate is CCC1CCCCC1OC(=O)C(C)CN.
What is the InChIKey of (2-ethylcyclohexyl) 3-amino-2-methylpropanoate?
The InChIKey is DBDBEBSBPMCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 3-amino-2-methylpropanoate?
(2-ethylcyclohexyl) 3-amino-2-methylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-amino-2-methylpropanoate is sourced from PubChem (CID 62670786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).