tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate

C16H31NO3 — CID 102037529

IUPACtert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H31NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h11-14,18H,6-10H2,1-5H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyXWONWDHEQDPURP-ZIAGYGMSSA-N
MW285.43 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate

tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 102037529) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID102037529
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H31NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h11-14,18H,6-10H2,1-5H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyXWONWDHEQDPURP-ZIAGYGMSSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
CID 101346841
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 102037529) is tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is XWONWDHEQDPURP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H31NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h11-14,18H,6-10H2,1-5H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 102037529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).