tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate

C19H32N2O3 — CID 99704826

IUPACtert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC3(CCC3)C2)C1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-15-7-4-6-14(12-15)16(22)21-11-10-19(13-21)8-5-9-19/h14-15H,4-13H2,1-3H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyPFFVZPPRARTPER-LSDHHAIUSA-N
MW336.48 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate (PubChem CID 99704826) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate
PubChem CID99704826
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC3(CCC3)C2)C1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-15-7-4-6-14(12-15)16(22)21-11-10-19(13-21)8-5-9-19/h14-15H,4-13H2,1-3H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyPFFVZPPRARTPER-LSDHHAIUSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]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,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
1-(cyclobutanecarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
CID 107319600
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl 4-ethyl-4-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]methyl]piperidine-1-carboxylate
CID 114280547
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate (CID 99704826) is tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC3(CCC3)C2)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate?
The InChIKey is PFFVZPPRARTPER-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-15-7-4-6-14(12-15)16(22)21-11-10-19(13-21)8-5-9-19/h14-15H,4-13H2,1-3H3,(H,20,23)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(6-azaspiro[3.4]octane-6-carbonyl)cyclohexyl]carbamate is sourced from PubChem (CID 99704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).