ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate

C14H24N2O3 — CID 115448178

IUPACethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C14H24N2O3/c1-2-19-12(17)11-6-3-4-9-16(11)13(18)14(10-15)7-5-8-14/h11H,2-10,15H2,1H3
InChIKeyTYXFWSBQHBZMIF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds4

About ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate

ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate (PubChem CID 115448178) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
PubChem CID115448178
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C14H24N2O3/c1-2-19-12(17)11-6-3-4-9-16(11)13(18)14(10-15)7-5-8-14/h11H,2-10,15H2,1H3
InChIKeyTYXFWSBQHBZMIF-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate (CID 115448178) is ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1(CN)CCC1.
What is the InChIKey of ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The InChIKey is TYXFWSBQHBZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-12(17)11-6-3-4-9-16(11)13(18)14(10-15)7-5-8-14/h11H,2-10,15H2,1H3.
What are the key properties of ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 115448178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).