methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate

C14H23NO2 — CID 164670668

IUPACmethyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate
SMILESCN[C@@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-15-12(13(16)17-2)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12,15H,3-8H2,1-2H3/t9?,10?,11?,12-,14?/m0/s1
InChIKeyGFPNPNFXIMUOQS-UYIBLKNYSA-N
MW237.34 g/mol
LogP1.96
Rot. Bonds3

About methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate

methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate (PubChem CID 164670668) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate
PubChem CID164670668
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namemethyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate
SMILESCN[C@@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-15-12(13(16)17-2)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12,15H,3-8H2,1-2H3/t9?,10?,11?,12-,14?/m0/s1
InChIKeyGFPNPNFXIMUOQS-UYIBLKNYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate?
The IUPAC name of methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate (CID 164670668) is methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate?
The canonical SMILES for methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate is CN[C@@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate?
The InChIKey is GFPNPNFXIMUOQS-UYIBLKNYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-12(13(16)17-2)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12,15H,3-8H2,1-2H3/t9?,10?,11?,12-,14?/m0/s1.
What are the key properties of methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate?
methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate has a molecular weight of 237.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(1-adamantyl)-2-(methylamino)acetate is sourced from PubChem (CID 164670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).