[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate

C23H30N2O3 — CID 166718526

IUPAC[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESCC(C)(C)c1ccc(C23CC2CN(C(=O)[C@@H]2C[C@]4(COC(N)=O)CC24)C3)cc1
InChIInChI=1S/C23H30N2O3/c1-21(2,3)14-4-6-15(7-5-14)23-8-16(23)11-25(12-23)19(26)17-9-22(10-18(17)22)13-28-20(24)27/h4-7,16-18H,8-13H2,1-3H3,(H2,24,27)/t16?,17-,18?,22-,23?/m1/s1
InChIKeyVYTJHNVVGFBYNG-YPOSXXQOSA-N
MW382.50 g/mol
LogP3.21
Rot. Bonds4

About [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate

[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate (PubChem CID 166718526) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate.

Molecular Properties

Compound Name[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
PubChem CID166718526
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESCC(C)(C)c1ccc(C23CC2CN(C(=O)[C@@H]2C[C@]4(COC(N)=O)CC24)C3)cc1
InChIInChI=1S/C23H30N2O3/c1-21(2,3)14-4-6-15(7-5-14)23-8-16(23)11-25(12-23)19(26)17-9-22(10-18(17)22)13-28-20(24)27/h4-7,16-18H,8-13H2,1-3H3,(H2,24,27)/t16?,17-,18?,22-,23?/m1/s1
InChIKeyVYTJHNVVGFBYNG-YPOSXXQOSA-N
XLogP3.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166708569
[(1R,3R)-3-[6-[4-methyl-3-(trifluoromethoxy)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
CID 170013978
(1S,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 98076944
tert-butyl 1-[4-(bromomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 76565056
[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate
CID 175627876
tert-butyl (1S,5R)-1-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90845679
1-hydroxypentyl 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 135307100
N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide
CID 166718017
N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide
CID 166718073
furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166282493
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
tert-butyl (3aR,6aS)-3a-(3,4-dichlorophenyl)-5-ethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 141279673

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The IUPAC name of [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate (CID 166718526) is [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate.
What is the SMILES notation for [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The canonical SMILES for [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate is CC(C)(C)c1ccc(C23CC2CN(C(=O)[C@@H]2C[C@]4(COC(N)=O)CC24)C3)cc1.
What is the InChIKey of [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The InChIKey is VYTJHNVVGFBYNG-YPOSXXQOSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-21(2,3)14-4-6-15(7-5-14)23-8-16(23)11-25(12-23)19(26)17-9-22(10-18(17)22)13-28-20(24)27/h4-7,16-18H,8-13H2,1-3H3,(H2,24,27)/t16?,17-,18?,22-,23?/m1/s1.
What are the key properties of [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate has a molecular weight of 382.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate is sourced from PubChem (CID 166718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).