tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C12H20N4O3 — CID 83488909

IUPACtert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]c(CN)nc2C(O)C1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16-5-7-10(8(17)6-16)15-9(4-13)14-7/h8,17H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyBITOFPDXJQOUIX-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.65
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 83488909) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID83488909
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]c(CN)nc2C(O)C1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16-5-7-10(8(17)6-16)15-9(4-13)14-7/h8,17H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyBITOFPDXJQOUIX-UHFFFAOYSA-N
XLogP0.65
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68927757
tert-butyl 3-[2-(aminomethyl)-1H-imidazol-5-yl]azetidine-1-carboxylate
CID 163403835
tert-butyl 3-(aminomethyl)-2-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 84815160
tert-butyl 2-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;ethane;molecular hydrogen
CID 162722493
tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 84814963
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 2-[5-(aminomethyl)thiophen-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 83949409
tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CID 45158916
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 83488909) is tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2[nH]c(CN)nc2C(O)C1.
What is the InChIKey of tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is BITOFPDXJQOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16-5-7-10(8(17)6-16)15-9(4-13)14-7/h8,17H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 83488909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).