tert-butyl 2-(aminomethyl)pyridine-4-carboxylate

C11H16N2O2 — CID 114325005

IUPACtert-butyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)8-4-5-13-9(6-8)7-12/h4-6H,7,12H2,1-3H3
InChIKeyRLLFQBUUSOZWJG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.50
Rot. Bonds2

About tert-butyl 2-(aminomethyl)pyridine-4-carboxylate

tert-butyl 2-(aminomethyl)pyridine-4-carboxylate (PubChem CID 114325005) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)pyridine-4-carboxylate
PubChem CID114325005
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl 2-(aminomethyl)pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)8-4-5-13-9(6-8)7-12/h4-6H,7,12H2,1-3H3
InChIKeyRLLFQBUUSOZWJG-UHFFFAOYSA-N
XLogP1.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
CID 66935363
ethyl 2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyridine-4-carboxylate
CID 58077318
tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
CID 70279325
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
octyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325028
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826
methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride
CID 157195099
tert-butyl 6-(aminomethyl)pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 139026838
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)pyridine-4-carboxylate (CID 114325005) is tert-butyl 2-(aminomethyl)pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)pyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(CN)c1.
What is the InChIKey of tert-butyl 2-(aminomethyl)pyridine-4-carboxylate?
The InChIKey is RLLFQBUUSOZWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)8-4-5-13-9(6-8)7-12/h4-6H,7,12H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)pyridine-4-carboxylate?
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)pyridine-4-carboxylate is sourced from PubChem (CID 114325005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).