tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate

C15H26N2O5 — CID 165498547

IUPACtert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N1CCOCC1=O
InChIInChI=1S/C15H26N2O5/c1-15(2,3)22-14(20)16-11-5-4-10(18)8-12(11)17-6-7-21-9-13(17)19/h10-12,18H,4-9H2,1-3H3,(H,16,20)
InChIKeyUZTSFGILZXXBDS-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.65
Rot. Bonds2

About tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate

tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate (PubChem CID 165498547) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
PubChem CID165498547
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N1CCOCC1=O
InChIInChI=1S/C15H26N2O5/c1-15(2,3)22-14(20)16-11-5-4-10(18)8-12(11)17-6-7-21-9-13(17)19/h10-12,18H,4-9H2,1-3H3,(H,16,20)
InChIKeyUZTSFGILZXXBDS-UHFFFAOYSA-N
XLogP0.65
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
CID 165491268
tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498320
tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498541
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
CID 90290949
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491681
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
CID 71145361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate (CID 165498547) is tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(O)CC1N1CCOCC1=O.
What is the InChIKey of tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate?
The InChIKey is UZTSFGILZXXBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-15(2,3)22-14(20)16-11-5-4-10(18)8-12(11)17-6-7-21-9-13(17)19/h10-12,18H,4-9H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate?
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate is sourced from PubChem (CID 165498547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).