tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate

C14H24N4O2 — CID 83949400

IUPACtert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
SMILESCC(C)C(N)c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H24N4O2/c1-8(2)11(15)12-16-9-6-18(7-10(9)17-12)13(19)20-14(3,4)5/h8,11H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyYGXQOEZHTPHSSW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate

tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate (PubChem CID 83949400) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
PubChem CID83949400
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
SMILESCC(C)C(N)c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H24N4O2/c1-8(2)11(15)12-16-9-6-18(7-10(9)17-12)13(19)20-14(3,4)5/h8,11H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyYGXQOEZHTPHSSW-UHFFFAOYSA-N
XLogP2.32
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-O-tert-butyl 2-O-ethyl 4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2,5-dicarboxylate
CID 118614041
tert-butyl 2-[5-(aminomethyl)thiophen-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 83949409
tert-butyl 2-(3-hydroxypropylsulfanyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614475
tert-butyl 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599668
tert-butyl 2-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;ethane;molecular hydrogen
CID 162722493
tert-butyl 2-carbamoyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 67065842
tert-butyl 4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 135638419
tert-butyl 3-(aminomethyl)-2-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 84815160
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 4-[2-[(1S)-1-amino-2-methylpropyl]-4-methylphenyl]piperazine-1-carboxylate
CID 11595437
tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 83488909
5-O-tert-butyl 2-O-ethyl 4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxylate
CID 118798371

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?
The IUPAC name of tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate (CID 83949400) is tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?
The canonical SMILES for tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate is CC(C)C(N)c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?
The InChIKey is YGXQOEZHTPHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-8(2)11(15)12-16-9-6-18(7-10(9)17-12)13(19)20-14(3,4)5/h8,11H,6-7,15H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?
tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-amino-2-methylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate is sourced from PubChem (CID 83949400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).