tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate

C17H23NO2 — CID 86708265

IUPACtert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-15-10-14(15)13-8-6-12(7-9-13)11-4-5-11/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyLTKZHOAXZWFNBX-LSDHHAIUSA-N
MW273.38 g/mol
LogP3.94
Rot. Bonds3

About tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate

tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate (PubChem CID 86708265) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
PubChem CID86708265
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-15-10-14(15)13-8-6-12(7-9-13)11-4-5-11/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyLTKZHOAXZWFNBX-LSDHHAIUSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl 2-[4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]acetate
CID 134350510
tert-butyl N-[(1R,2S)-2-(4-nitrophenyl)cyclopropyl]carbamate
CID 86673141
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
methyl 2-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate (CID 86708265) is tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(C2CC2)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate?
The InChIKey is LTKZHOAXZWFNBX-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-15-10-14(15)13-8-6-12(7-9-13)11-4-5-11/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate has a molecular weight of 273.38 g/mol, XLogP of 3.94, 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,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate is sourced from PubChem (CID 86708265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).