tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate

C20H34N2O6 — CID 170605682

IUPACtert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCOC(=O)N2)[C@@H]1COC1CCC(O)CC1
InChIInChI=1S/C20H34N2O6/c1-19(2,3)28-18(25)22-11-4-9-20(10-12-26-17(24)21-20)16(22)13-27-15-7-5-14(23)6-8-15/h14-16,23H,4-13H2,1-3H3,(H,21,24)/t14?,15?,16-,20+/m0/s1
InChIKeyCZSRPQVWPAYOBS-SAONEMICSA-N
MW398.50 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate

tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate (PubChem CID 170605682) has the molecular formula C20H34N2O6 and a molecular weight of 398.50 g/mol. Its IUPAC name is tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
PubChem CID170605682
Molecular FormulaC20H34N2O6
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC Nametert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCOC(=O)N2)[C@@H]1COC1CCC(O)CC1
InChIInChI=1S/C20H34N2O6/c1-19(2,3)28-18(25)22-11-4-9-20(10-12-26-17(24)21-20)16(22)13-27-15-7-5-14(23)6-8-15/h14-16,23H,4-13H2,1-3H3,(H,21,24)/t14?,15?,16-,20+/m0/s1
InChIKeyCZSRPQVWPAYOBS-SAONEMICSA-N
XLogP2.57
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate 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 2-oxo-10-[(4-phenylmethoxycyclohexyl)oxymethyl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 170605542
tert-butyl 2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 166107607
tert-butyl (6R,7R)-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,3,8-triazaspiro[5.5]undecane-8-carboxylate
CID 170774809
tert-butyl (6S,7R)-2-oxo-7-[(1-phenylmethoxycarbonylpiperidin-4-yl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 170774885
tert-butyl 1-[(4-cyclohexa-1,5-dien-1-ylcyclohexyl)oxymethyl]-8-methyl-11-oxa-2,7-diazaspiro[5.6]dodecane-2-carboxylate
CID 166107630
tert-butyl 7-[[4-[3-[(4-methylphenyl)sulfonylamino]propylidene]cyclohexyl]oxymethyl]-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 170605775
tert-butyl (2R,3S)-3-amino-3-(hydroxymethyl)-2-[(4-phenylmethoxycyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 170605670
tert-butyl 2-(cyclohexyloxymethyl)pyrrolidine-1-carboxylate
CID 22001447
tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
CID 11594206
tert-butyl 3-(chloromethylsulfonylamino)-3-(hydroxymethyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 166107797
tert-butyl (2S,4R)-2-(cyclohexyloxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 71072463
tert-butyl 5-oxo-2,3,4,4a,6,7,8,8a-octahydro-1,7-naphthyridine-1-carboxylate
CID 83671533

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate?
The IUPAC name of tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate (CID 170605682) is tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate.
What is the SMILES notation for tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate?
The canonical SMILES for tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]2(CCOC(=O)N2)[C@@H]1COC1CCC(O)CC1.
What is the InChIKey of tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate?
The InChIKey is CZSRPQVWPAYOBS-SAONEMICSA-N. The full InChI is InChI=1S/C20H34N2O6/c1-19(2,3)28-18(25)22-11-4-9-20(10-12-26-17(24)21-20)16(22)13-27-15-7-5-14(23)6-8-15/h14-16,23H,4-13H2,1-3H3,(H,21,24)/t14?,15?,16-,20+/m0/s1.
What are the key properties of tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate?
tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate has a molecular weight of 398.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R,7R)-7-[(4-hydroxycyclohexyl)oxymethyl]-2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate is sourced from PubChem (CID 170605682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).