2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate

C13H18N2O2 — CID 106203037

IUPAC2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OCCC2CCC2)nc1
InChIInChI=1S/C13H18N2O2/c14-8-11-4-5-12(15-9-11)13(16)17-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8,14H2
InChIKeyUPORXUDQRIAFDQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.89
Rot. Bonds5

About 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate

2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate (PubChem CID 106203037) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
PubChem CID106203037
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OCCC2CCC2)nc1
InChIInChI=1S/C13H18N2O2/c14-8-11-4-5-12(15-9-11)13(16)17-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8,14H2
InChIKeyUPORXUDQRIAFDQ-UHFFFAOYSA-N
XLogP1.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dipropyl isocinchomeronate
CID 8693
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
Diethyl 2,4-pyridinedicarboxylate
CID 170509
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
Butyl pyridine-2-carboxylate
CID 79285
Decyl pyridine-2-carboxylate
CID 219539
Fusarate
CID 1549029

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate (CID 106203037) is 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate is NCc1ccc(C(=O)OCCC2CCC2)nc1.
What is the InChIKey of 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate?
The InChIKey is UPORXUDQRIAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-8-11-4-5-12(15-9-11)13(16)17-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8,14H2.
What are the key properties of 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate?
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 106203037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).