[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium

C13H22NO2+ — CID 7482124

IUPAC[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3/p+1/t8?,9?,10?,11-,13?/m0/s1
InChIKeyLHKFCXJRGNQYNN-ZQMDXNIRSA-O
MW224.32 g/mol
LogP0.99
Rot. Bonds2

About [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium

[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium (PubChem CID 7482124) has the molecular formula C13H22NO2+ and a molecular weight of 224.32 g/mol. Its IUPAC name is [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
PubChem CID7482124
Molecular FormulaC13H22NO2+
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3/p+1/t8?,9?,10?,11-,13?/m0/s1
InChIKeyLHKFCXJRGNQYNN-ZQMDXNIRSA-O
XLogP0.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(1-adamantyl)-2-(propan-2-ylcarbamoylamino)acetate
CID 7233068
methyl 2-(1-adamantyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2835991
methyl 2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 171922242
methyl 2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 4017975
methyl (2S)-2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 7065662
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
methyl 2-(1-adamantyl)-2-hydroxyacetate
CID 24795488
methyl 2-(1-adamantyl)-2-(propylcarbamoylamino)acetate
CID 2999654
methyl 2-(1-adamantyl)-2-(cyclohexylcarbamoylamino)acetate
CID 4628350
methyl 2-(1-adamantylamino)-3,3-dimethylbutanoate
CID 134907868
(R)-1-adamantyl(methoxy)methanol
CID 124639055
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium (CID 7482124) is [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium is COC(=O)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium?
The InChIKey is LHKFCXJRGNQYNN-ZQMDXNIRSA-O. The full InChI is InChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3/p+1/t8?,9?,10?,11-,13?/m0/s1.
What are the key properties of [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium?
[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium has a molecular weight of 224.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium is sourced from PubChem (CID 7482124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).