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

C13H25NO2 — CID 175898794

IUPAC(1-propylcyclohexyl) 2-amino-2-methylpropanoate
SMILESCCCC1(OC(=O)C(C)(C)N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14/h4-10,14H2,1-3H3
InChIKeyHTUCVXGOARWFLZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.77
Rot. Bonds4

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

(1-propylcyclohexyl) 2-amino-2-methylpropanoate (PubChem CID 175898794) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1-propylcyclohexyl) 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name(1-propylcyclohexyl) 2-amino-2-methylpropanoate
PubChem CID175898794
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(1-propylcyclohexyl) 2-amino-2-methylpropanoate
SMILESCCCC1(OC(=O)C(C)(C)N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14/h4-10,14H2,1-3H3
InChIKeyHTUCVXGOARWFLZ-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.77
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?
The IUPAC name of (1-propylcyclohexyl) 2-amino-2-methylpropanoate (CID 175898794) is (1-propylcyclohexyl) 2-amino-2-methylpropanoate.
What is the SMILES notation for (1-propylcyclohexyl) 2-amino-2-methylpropanoate?
The canonical SMILES for (1-propylcyclohexyl) 2-amino-2-methylpropanoate is CCCC1(OC(=O)C(C)(C)N)CCCCC1.
What is the InChIKey of (1-propylcyclohexyl) 2-amino-2-methylpropanoate?
The InChIKey is HTUCVXGOARWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-8-13(9-6-5-7-10-13)16-11(15)12(2,3)14/h4-10,14H2,1-3H3.
What are the key properties of (1-propylcyclohexyl) 2-amino-2-methylpropanoate?
(1-propylcyclohexyl) 2-amino-2-methylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.77, 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 is sourced from PubChem (CID 175898794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).