1-cyclohexylethyl 2-amino-2-methylpropanoate

C12H23NO2 — CID 175898989

IUPAC1-cyclohexylethyl 2-amino-2-methylpropanoate
SMILESCC(OC(=O)C(C)(C)N)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(10-7-5-4-6-8-10)15-11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyFGIMWXYUDYEXEO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds3

About 1-cyclohexylethyl 2-amino-2-methylpropanoate

1-cyclohexylethyl 2-amino-2-methylpropanoate (PubChem CID 175898989) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexylethyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name1-cyclohexylethyl 2-amino-2-methylpropanoate
PubChem CID175898989
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-cyclohexylethyl 2-amino-2-methylpropanoate
SMILESCC(OC(=O)C(C)(C)N)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(10-7-5-4-6-8-10)15-11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyFGIMWXYUDYEXEO-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl 2-amino-2-methylpropanoate?
The IUPAC name of 1-cyclohexylethyl 2-amino-2-methylpropanoate (CID 175898989) is 1-cyclohexylethyl 2-amino-2-methylpropanoate.
What is the SMILES notation for 1-cyclohexylethyl 2-amino-2-methylpropanoate?
The canonical SMILES for 1-cyclohexylethyl 2-amino-2-methylpropanoate is CC(OC(=O)C(C)(C)N)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl 2-amino-2-methylpropanoate?
The InChIKey is FGIMWXYUDYEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(10-7-5-4-6-8-10)15-11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 1-cyclohexylethyl 2-amino-2-methylpropanoate?
1-cyclohexylethyl 2-amino-2-methylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 175898989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).