cyclopentylmethyl 3-aminopyridine-2-carboxylate

C12H16N2O2 — CID 103993262

IUPACcyclopentylmethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCC1CCCC1
InChIInChI=1S/C12H16N2O2/c13-10-6-3-7-14-11(10)12(15)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,13H2
InChIKeyUEJUIBVBMNOTGS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds3

About cyclopentylmethyl 3-aminopyridine-2-carboxylate

cyclopentylmethyl 3-aminopyridine-2-carboxylate (PubChem CID 103993262) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cyclopentylmethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 3-aminopyridine-2-carboxylate
PubChem CID103993262
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecyclopentylmethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCC1CCCC1
InChIInChI=1S/C12H16N2O2/c13-10-6-3-7-14-11(10)12(15)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,13H2
InChIKeyUEJUIBVBMNOTGS-UHFFFAOYSA-N
XLogP2.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
ethyl 3-aminopyridine-2-carboxylate
CID 565054
cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of cyclopentylmethyl 3-aminopyridine-2-carboxylate (CID 103993262) is cyclopentylmethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for cyclopentylmethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for cyclopentylmethyl 3-aminopyridine-2-carboxylate is Nc1cccnc1C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 3-aminopyridine-2-carboxylate?
The InChIKey is UEJUIBVBMNOTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-6-3-7-14-11(10)12(15)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,13H2.
What are the key properties of cyclopentylmethyl 3-aminopyridine-2-carboxylate?
cyclopentylmethyl 3-aminopyridine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 103993262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).