ethyl 2-(cyclopropylamino)adamantane-2-carboxylate

C16H25NO2 — CID 62780818

IUPACethyl 2-(cyclopropylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-2-19-15(18)16(17-14-3-4-14)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,2-9H2,1H3
InChIKeyXPXTWMSADWJQTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds4

About ethyl 2-(cyclopropylamino)adamantane-2-carboxylate

ethyl 2-(cyclopropylamino)adamantane-2-carboxylate (PubChem CID 62780818) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)adamantane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)adamantane-2-carboxylate
PubChem CID62780818
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 2-(cyclopropylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-2-19-15(18)16(17-14-3-4-14)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,2-9H2,1H3
InChIKeyXPXTWMSADWJQTP-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)adamantane-2-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)adamantane-2-carboxylate (CID 62780818) is ethyl 2-(cyclopropylamino)adamantane-2-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)adamantane-2-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)adamantane-2-carboxylate is CCOC(=O)C1(NC2CC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 2-(cyclopropylamino)adamantane-2-carboxylate?
The InChIKey is XPXTWMSADWJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-19-15(18)16(17-14-3-4-14)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,2-9H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)adamantane-2-carboxylate?
ethyl 2-(cyclopropylamino)adamantane-2-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)adamantane-2-carboxylate is sourced from PubChem (CID 62780818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).