ethyl 2-(adamantane-1-carbonylamino)acetate

C15H23NO3 — CID 4120007

IUPACethyl 2-(adamantane-1-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-2-19-13(17)9-16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H,16,18)
InChIKeyJWPKAUAIFFUIKR-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-(adamantane-1-carbonylamino)acetate

ethyl 2-(adamantane-1-carbonylamino)acetate (PubChem CID 4120007) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(adamantane-1-carbonylamino)acetate
PubChem CID4120007
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(adamantane-1-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-2-19-13(17)9-16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H,16,18)
InChIKeyJWPKAUAIFFUIKR-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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Related Compounds

2-[2-(Adamantan-1-yl)acetamido]acetic acid
CID 975120
Methyl 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]acetate
CID 2944994
4-(2-Adamantan-1-yl-acetylamino)-butyric acid pentyl ester
CID 11371517
2-[(1-Adamantylacetyl)amino]propanoic acid
CID 2770857
N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]glycine
CID 2961177
N-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-L-leucine methyl ester
CID 10990457
4-[(Adamantane-1-carbonyl)-amino]-butyric acid pentyl ester
CID 11416405
(2-Oxo-2-piperidin-1-ylethyl) 2-(adamantane-1-carbonylamino)acetate
CID 3635511
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 5036659
Methyl 2-((3r,5r,7r)-adamantane-1-carboxamido)propanoate
CID 2999267
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3919970
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 4553339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of ethyl 2-(adamantane-1-carbonylamino)acetate (CID 4120007) is ethyl 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(adamantane-1-carbonylamino)acetate is CCOC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of ethyl 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is JWPKAUAIFFUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-13(17)9-16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H,16,18).
What are the key properties of ethyl 2-(adamantane-1-carbonylamino)acetate?
ethyl 2-(adamantane-1-carbonylamino)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 ethyl 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 4120007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).