3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate

C11H16N2O3 — CID 81100505

IUPAC3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESCOCCCOC(=O)c1ccc(CN)cn1
InChIInChI=1S/C11H16N2O3/c1-15-5-2-6-16-11(14)10-4-3-9(7-12)8-13-10/h3-4,8H,2,5-7,12H2,1H3
InChIKeyWSDAHXRZQVAOQN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.73
Rot. Bonds6

About 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate

3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate (PubChem CID 81100505) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
PubChem CID81100505
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESCOCCCOC(=O)c1ccc(CN)cn1
InChIInChI=1S/C11H16N2O3/c1-15-5-2-6-16-11(14)10-4-3-9(7-12)8-13-10/h3-4,8H,2,5-7,12H2,1H3
InChIKeyWSDAHXRZQVAOQN-UHFFFAOYSA-N
XLogP0.73
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099710
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 106203037
2-aminoethyl 5-butylpyridine-2-carboxylate
CID 54300012
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
dibutyl pyridine-2,5-dicarboxylate
CID 4266603
butyl 5-aminopyridine-2-carboxylate
CID 81315833
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
3-methoxypropyl 5-acetylfuran-2-carboxylate
CID 90295960
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 103403335
5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate?
The IUPAC name of 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate (CID 81100505) is 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate.
What is the SMILES notation for 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate?
The canonical SMILES for 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate is COCCCOC(=O)c1ccc(CN)cn1.
What is the InChIKey of 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate?
The InChIKey is WSDAHXRZQVAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-5-2-6-16-11(14)10-4-3-9(7-12)8-13-10/h3-4,8H,2,5-7,12H2,1H3.
What are the key properties of 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate?
3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 81100505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).