tert-butyl-(4-oxocyclohexyl)carbamic acid

C11H19NO3 — CID 66642917

IUPACtert-butyl-(4-oxocyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)12(10(14)15)8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyJODLAUGPZUZCRE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl-(4-oxocyclohexyl)carbamic acid

tert-butyl-(4-oxocyclohexyl)carbamic acid (PubChem CID 66642917) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl-(4-oxocyclohexyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4-oxocyclohexyl)carbamic acid
PubChem CID66642917
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl-(4-oxocyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)12(10(14)15)8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyJODLAUGPZUZCRE-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-oxocyclohexyl)carbamic acid?
The IUPAC name of tert-butyl-(4-oxocyclohexyl)carbamic acid (CID 66642917) is tert-butyl-(4-oxocyclohexyl)carbamic acid.
What is the SMILES notation for tert-butyl-(4-oxocyclohexyl)carbamic acid?
The canonical SMILES for tert-butyl-(4-oxocyclohexyl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(=O)CC1.
What is the InChIKey of tert-butyl-(4-oxocyclohexyl)carbamic acid?
The InChIKey is JODLAUGPZUZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)12(10(14)15)8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl-(4-oxocyclohexyl)carbamic acid?
tert-butyl-(4-oxocyclohexyl)carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-oxocyclohexyl)carbamic acid is sourced from PubChem (CID 66642917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).