tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate

C13H25NO3 — CID 155469441

IUPACtert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N)CCCC(O)CCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(16)13(14)8-4-6-10(15)7-5-9-13/h10,15H,4-9,14H2,1-3H3
InChIKeyNCQLCBTYICQWIY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.74
Rot. Bonds1

About tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate

tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate (PubChem CID 155469441) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
PubChem CID155469441
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N)CCCC(O)CCC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(16)13(14)8-4-6-10(15)7-5-9-13/h10,15H,4-9,14H2,1-3H3
InChIKeyNCQLCBTYICQWIY-UHFFFAOYSA-N
XLogP1.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-amino-4-tert-butylcyclohexane-1-carboxylate
CID 125425759
tert-butyl 1-aminocyclohexane-1-carboxylate;formic acid
CID 174428649
tert-butyl 1-amino-4-(hydroxymethyl)cyclohexane-1-carboxylate
CID 142653726
trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
CID 68828762
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
tert-butyl 1,3-diaminocyclobutane-1-carboxylate
CID 141497199
tert-butyl carbamate;cyclobutanol
CID 143474652
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 54758925
tert-butyl (3R)-3-aminothiolane-3-carboxylate
CID 124868145
cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate
CID 97115095
trans-tert-butyl (1R,2R)-1-amino-2-ethylcyclohexane-1-carboxylate
CID 125426213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate?
The IUPAC name of tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate (CID 155469441) is tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate?
The canonical SMILES for tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate is CC(C)(C)OC(=O)C1(N)CCCC(O)CCC1.
What is the InChIKey of tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate?
The InChIKey is NCQLCBTYICQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(16)13(14)8-4-6-10(15)7-5-9-13/h10,15H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate?
tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate is sourced from PubChem (CID 155469441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).