2-cyclobutylethyl 3-aminopyridine-2-carboxylate

C12H16N2O2 — CID 106202957

IUPAC2-cyclobutylethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCCC1CCC1
InChIInChI=1S/C12H16N2O2/c13-10-5-2-7-14-11(10)12(15)16-8-6-9-3-1-4-9/h2,5,7,9H,1,3-4,6,8,13H2
InChIKeyKPUYHZGCPDHMBY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About 2-cyclobutylethyl 3-aminopyridine-2-carboxylate

2-cyclobutylethyl 3-aminopyridine-2-carboxylate (PubChem CID 106202957) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclobutylethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 3-aminopyridine-2-carboxylate
PubChem CID106202957
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyclobutylethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCCC1CCC1
InChIInChI=1S/C12H16N2O2/c13-10-5-2-7-14-11(10)12(15)16-8-6-9-3-1-4-9/h2,5,7,9H,1,3-4,6,8,13H2
InChIKeyKPUYHZGCPDHMBY-UHFFFAOYSA-N
XLogP2.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
2-cyclobutylethyl 2-bromopyridine-3-carboxylate
CID 106206637
2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
CID 103714850
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
ethyl 3-aminopyridine-2-carboxylate
CID 565054
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 3-aminopyridine-2-carboxylate (CID 106202957) is 2-cyclobutylethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 3-aminopyridine-2-carboxylate is Nc1cccnc1C(=O)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 3-aminopyridine-2-carboxylate?
The InChIKey is KPUYHZGCPDHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-5-2-7-14-11(10)12(15)16-8-6-9-3-1-4-9/h2,5,7,9H,1,3-4,6,8,13H2.
What are the key properties of 2-cyclobutylethyl 3-aminopyridine-2-carboxylate?
2-cyclobutylethyl 3-aminopyridine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 106202957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).