tert-butyl N-(3-hydroxy-1-adamantyl)carbamate

C15H25NO3 — CID 59134555

IUPACtert-butyl N-(3-hydroxy-1-adamantyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-14-5-10-4-11(6-14)8-15(18,7-10)9-14/h10-11,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyAFKHMILYNDSAGD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl N-(3-hydroxy-1-adamantyl)carbamate

tert-butyl N-(3-hydroxy-1-adamantyl)carbamate (PubChem CID 59134555) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1-adamantyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1-adamantyl)carbamate
PubChem CID59134555
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl N-(3-hydroxy-1-adamantyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-14-5-10-4-11(6-14)8-15(18,7-10)9-14/h10-11,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyAFKHMILYNDSAGD-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 67300348
tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
CID 163301402
tert-butyl N-(1-adamantylamino)carbamate
CID 57256539
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11267340
tert-butyl N-[3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-1-adamantyl]carbamate
CID 166423356
tert-butyl N-[(5S,7R)-3-[(4-thiophen-2-ylbenzoyl)amino]-1-adamantyl]carbamate
CID 175969899
2,2-dimethylpropyl N-[(3R,5S)-5-[[(5S,7R)-3-hydroxy-1-adamantyl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 95219695
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
[3-(2,3,3-trimethylbutan-2-yloxycarbonylamino)-1-adamantyl] 2,2-dimethylbutanoate
CID 159284713

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1-adamantyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1-adamantyl)carbamate (CID 59134555) is tert-butyl N-(3-hydroxy-1-adamantyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1-adamantyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1-adamantyl)carbamate is CC(C)(C)OC(=O)NC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of tert-butyl N-(3-hydroxy-1-adamantyl)carbamate?
The InChIKey is AFKHMILYNDSAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-14-5-10-4-11(6-14)8-15(18,7-10)9-14/h10-11,18H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(3-hydroxy-1-adamantyl)carbamate?
tert-butyl N-(3-hydroxy-1-adamantyl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1-adamantyl)carbamate is sourced from PubChem (CID 59134555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).