tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate

C12H19NO3 — CID 102568823

IUPACtert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CC3C(C2O)C31
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-6-4-5-7(9)8(5)10(6)14/h5-10,14H,4H2,1-3H3,(H,13,15)
InChIKeyQQWNMEZVLGRHLB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds1

About tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate

tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate (PubChem CID 102568823) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate
PubChem CID102568823
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CC3C(C2O)C31
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-6-4-5-7(9)8(5)10(6)14/h5-10,14H,4H2,1-3H3,(H,13,15)
InChIKeyQQWNMEZVLGRHLB-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1S,2R,3S,4S,6S)-5-oxo-3-tricyclo[2.2.1.02,6]heptanyl]carbamate
CID 129412840
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]hept-3-enyl]carbamate
CID 124748419
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
(1S,2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 135397107
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
CID 156824590
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate (CID 102568823) is tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate is CC(C)(C)OC(=O)NC1C2CC3C(C2O)C31.
What is the InChIKey of tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate?
The InChIKey is QQWNMEZVLGRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-6-4-5-7(9)8(5)10(6)14/h5-10,14H,4H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate?
tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate is sourced from PubChem (CID 102568823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).