ethyl (2R)-2-(1-adamantyl)-2-aminoacetate

C14H23NO2 — CID 124669862

IUPACethyl (2R)-2-(1-adamantyl)-2-aminoacetate
SMILESCCOC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-2-17-13(16)12(15)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,2-8,15H2,1H3/t9?,10?,11?,12-,14?/m0/s1
InChIKeyJFUPACLSKQOLDS-UYIBLKNYSA-N
MW237.34 g/mol
LogP2.09
Rot. Bonds3

About ethyl (2R)-2-(1-adamantyl)-2-aminoacetate

ethyl (2R)-2-(1-adamantyl)-2-aminoacetate (PubChem CID 124669862) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl (2R)-2-(1-adamantyl)-2-aminoacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(1-adamantyl)-2-aminoacetate
PubChem CID124669862
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl (2R)-2-(1-adamantyl)-2-aminoacetate
SMILESCCOC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-2-17-13(16)12(15)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,2-8,15H2,1H3/t9?,10?,11?,12-,14?/m0/s1
InChIKeyJFUPACLSKQOLDS-UYIBLKNYSA-N
XLogP2.09
TPSA52.32 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(1-adamantyl)-2-aminoacetate?
The IUPAC name of ethyl (2R)-2-(1-adamantyl)-2-aminoacetate (CID 124669862) is ethyl (2R)-2-(1-adamantyl)-2-aminoacetate.
What is the SMILES notation for ethyl (2R)-2-(1-adamantyl)-2-aminoacetate?
The canonical SMILES for ethyl (2R)-2-(1-adamantyl)-2-aminoacetate is CCOC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of ethyl (2R)-2-(1-adamantyl)-2-aminoacetate?
The InChIKey is JFUPACLSKQOLDS-UYIBLKNYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-13(16)12(15)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,2-8,15H2,1H3/t9?,10?,11?,12-,14?/m0/s1.
What are the key properties of ethyl (2R)-2-(1-adamantyl)-2-aminoacetate?
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate has a molecular weight of 237.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(1-adamantyl)-2-aminoacetate is sourced from PubChem (CID 124669862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).