methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

C15H23NO3 — CID 3584687

IUPACmethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-19-14(18)9-16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyMAYBQNRZCKAQRE-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 3584687) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID3584687
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-19-14(18)9-16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyMAYBQNRZCKAQRE-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 3584687) is methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is MAYBQNRZCKAQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-14(18)9-16-13(17)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 265.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 3584687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).