tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate

C16H23NO2 — CID 118483818

IUPACtert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
SMILESCC[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-16(17-14(18)19-15(2,3)4)11-13(16)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-,16-/m1/s1
InChIKeyWSLVXKFNJQYGPM-CZUORRHYSA-N
MW261.37 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate

tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate (PubChem CID 118483818) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
PubChem CID118483818
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
SMILESCC[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-16(17-14(18)19-15(2,3)4)11-13(16)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-,16-/m1/s1
InChIKeyWSLVXKFNJQYGPM-CZUORRHYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
CID 145300620
trans-ethyl (2R,3S)-3-benzyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 163421375
tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
CID 118483901
tert-butyl N-[(1S,2S)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]carbamate
CID 99999101
methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenylcyclopropane-1-carboxylate
CID 70985003
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
2-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446704
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1R,2S)-1-(4-nitrophenyl)-2-phenylcyclopropyl]carbamate
CID 118483831

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate (CID 118483818) is tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate is CC[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate?
The InChIKey is WSLVXKFNJQYGPM-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-16(17-14(18)19-15(2,3)4)11-13(16)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate?
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate has a molecular weight of 261.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 118483818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).