[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate

C17H27NO4 — CID 7364864

IUPAC[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14?,17?/m1/s1
InChIKeyLZRGDNUEMRTTKD-SFCYXTAJSA-N
MW309.41 g/mol
LogP1.90
Rot. Bonds6

About [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate

[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 7364864) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate
PubChem CID7364864
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14?,17?/m1/s1
InChIKeyLZRGDNUEMRTTKD-SFCYXTAJSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate (CID 7364864) is [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is LZRGDNUEMRTTKD-SFCYXTAJSA-N. The full InChI is InChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14?,17?/m1/s1.
What are the key properties of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate?
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 309.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 7364864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).