tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate

C14H27NO3 — CID 18414280

IUPACtert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC1(CCO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)11-15-14(9-10-16)7-5-4-6-8-14/h15-16H,4-11H2,1-3H3
InChIKeySTOMZGFBJPLMGK-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate

tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate (PubChem CID 18414280) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate
PubChem CID18414280
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC1(CCO)CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(2,3)18-12(17)11-15-14(9-10-16)7-5-4-6-8-14/h15-16H,4-11H2,1-3H3
InChIKeySTOMZGFBJPLMGK-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate (CID 18414280) is tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate is CC(C)(C)OC(=O)CNC1(CCO)CCCCC1.
What is the InChIKey of tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate?
The InChIKey is STOMZGFBJPLMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)18-12(17)11-15-14(9-10-16)7-5-4-6-8-14/h15-16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate?
tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(2-hydroxyethyl)cyclohexyl]amino]acetate is sourced from PubChem (CID 18414280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).