(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride

C13H26ClNO2 — CID 175898793

IUPAC(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride
SMILESCCCC1(OC(=O)C(C)(C)N)CCCCC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14;/h4-10,14H2,1-3H3;1H
InChIKeyHXNGDBNYEKAROE-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.19
Rot. Bonds4

About (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride

(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 175898793) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride
PubChem CID175898793
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride
SMILESCCCC1(OC(=O)C(C)(C)N)CCCCC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14;/h4-10,14H2,1-3H3;1H
InChIKeyHXNGDBNYEKAROE-UHFFFAOYSA-N
XLogP3.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride (CID 175898793) is (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride is CCCC1(OC(=O)C(C)(C)N)CCCCC1.Cl.
What is the InChIKey of (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is HXNGDBNYEKAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.ClH/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14;/h4-10,14H2,1-3H3;1H.
What are the key properties of (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride?
(1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylcyclohexyl) 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 175898793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).