ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate

C16H23NO3 — CID 103913398

IUPACethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)11-4-3-7-17(11)15(18)14-12-9-5-6-10(8-9)13(12)14/h9-14H,2-8H2,1H3
InChIKeyZDLSTPDPQIUPJA-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.83
Rot. Bonds3

About ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 103913398) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID103913398
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)11-4-3-7-17(11)15(18)14-12-9-5-6-10(8-9)13(12)14/h9-14H,2-8H2,1H3
InChIKeyZDLSTPDPQIUPJA-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
3-(2-ethoxycarbonylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3784777
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103807145
ethyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423535
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate (CID 103913398) is ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is ZDLSTPDPQIUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-16(19)11-4-3-7-17(11)15(18)14-12-9-5-6-10(8-9)13(12)14/h9-14H,2-8H2,1H3.
What are the key properties of ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 103913398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).