methyl (5R,7R)-3-aminoadamantane-1-carboxylate

C12H19NO2 — CID 23309146

IUPACmethyl (5R,7R)-3-aminoadamantane-1-carboxylate
SMILESCOC(=O)C12C[C@H]3C[C@@H](CC(N)(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7,13H2,1H3/t8-,9-,11?,12?/m1/s1
InChIKeyYCDFPJJVFUVJJF-WWAQEKKBSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds1

About methyl (5R,7R)-3-aminoadamantane-1-carboxylate

methyl (5R,7R)-3-aminoadamantane-1-carboxylate (PubChem CID 23309146) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl (5R,7R)-3-aminoadamantane-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R,7R)-3-aminoadamantane-1-carboxylate
PubChem CID23309146
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl (5R,7R)-3-aminoadamantane-1-carboxylate
SMILESCOC(=O)C12C[C@H]3C[C@@H](CC(N)(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7,13H2,1H3/t8-,9-,11?,12?/m1/s1
InChIKeyYCDFPJJVFUVJJF-WWAQEKKBSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminoadamantane-1-carboxamide
CID 67083536
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
methyl 3-[3-[ethyl(methyl)carbamoyl]-1-adamantyl]adamantane-1-carboxylate
CID 58493851
methyl (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate
CID 780067
methyl (5S,7R)-3-(cyclohexen-1-yl)adamantane-1-carboxylate
CID 101117887
[(2S)-2-amino-3-phenylpropanoyl] 3-aminoadamantane-1-carboxylate
CID 88764230
methyl 3-[25,26,27,28-tetrahydroxy-11,17,23-tris(3-methoxycarbonyl-1-adamantyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]adamantane-1-carboxylate
CID 12021547
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420
methyl (5S,7R)-3-[chloro(phenyl)methyl]adamantane-1-carboxylate
CID 101053617
ethyl 3-methyladamantane-1-carboxylate
CID 91035381

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7R)-3-aminoadamantane-1-carboxylate?
The IUPAC name of methyl (5R,7R)-3-aminoadamantane-1-carboxylate (CID 23309146) is methyl (5R,7R)-3-aminoadamantane-1-carboxylate.
What is the SMILES notation for methyl (5R,7R)-3-aminoadamantane-1-carboxylate?
The canonical SMILES for methyl (5R,7R)-3-aminoadamantane-1-carboxylate is COC(=O)C12C[C@H]3C[C@@H](CC(N)(C3)C1)C2.
What is the InChIKey of methyl (5R,7R)-3-aminoadamantane-1-carboxylate?
The InChIKey is YCDFPJJVFUVJJF-WWAQEKKBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7,13H2,1H3/t8-,9-,11?,12?/m1/s1.
What are the key properties of methyl (5R,7R)-3-aminoadamantane-1-carboxylate?
methyl (5R,7R)-3-aminoadamantane-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,7R)-3-aminoadamantane-1-carboxylate is sourced from PubChem (CID 23309146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).