2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

C15H27NO3 — CID 43803239

IUPAC2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCCCC1(C(=O)O)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)12-6-4-5-7-15(12,13(17)18)16-8-10-19-11-9-16/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyHRBXIBXRPLUJKM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds2

About 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 43803239) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID43803239
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCCCC1(C(=O)O)N1CCOCC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)12-6-4-5-7-15(12,13(17)18)16-8-10-19-11-9-16/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyHRBXIBXRPLUJKM-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 43803239) is 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is CC(C)(C)C1CCCCC1(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is HRBXIBXRPLUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)12-6-4-5-7-15(12,13(17)18)16-8-10-19-11-9-16/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).