tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate

C11H19NO3 — CID 97052837

IUPACtert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9+/m1/s1
InChIKeyWLVHAJCRVANNGK-VGMNWLOBSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds1

About tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate

tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate (PubChem CID 97052837) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
PubChem CID97052837
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9+/m1/s1
InChIKeyWLVHAJCRVANNGK-VGMNWLOBSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate with MolForge

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Related Compounds

N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
2,2-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-oxopropanoic acid
CID 82821881
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
3-amino-2,2,3-trimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721255
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
(1R,2S,4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 155254697
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,3S,4S,5S,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 10634091
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate (CID 97052837) is tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate?
The InChIKey is WLVHAJCRVANNGK-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-6-7-4-5-9(8)14-7/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8+,9+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate?
tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate is sourced from PubChem (CID 97052837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).