tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate

C14H25NO3 — CID 129371801

IUPACtert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]12CC[C@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-14-7-6-9(8-10(14)16)13(14,4)5/h9-10,16H,6-8H2,1-5H3,(H,15,17)/t9-,10-,14-/m1/s1
InChIKeyXBGHOXTXZUYKJX-GPCCPHFNSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate

tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate (PubChem CID 129371801) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate
PubChem CID129371801
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]12CC[C@H](C[C@H]1O)C2(C)C
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-14-7-6-9(8-10(14)16)13(14,4)5/h9-10,16H,6-8H2,1-5H3,(H,15,17)/t9-,10-,14-/m1/s1
InChIKeyXBGHOXTXZUYKJX-GPCCPHFNSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate (CID 129371801) is tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate is CC(C)(C)OC(=O)N[C@]12CC[C@H](C[C@H]1O)C2(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate?
The InChIKey is XBGHOXTXZUYKJX-GPCCPHFNSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-14-7-6-9(8-10(14)16)13(14,4)5/h9-10,16H,6-8H2,1-5H3,(H,15,17)/t9-,10-,14-/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate?
tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]carbamate is sourced from PubChem (CID 129371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).