tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate

C16H25N3O2 — CID 84814963

IUPACtert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]c(C3CCC3)c(CN)c2C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-12-11(7-17)14(10-5-4-6-10)18-13(12)9-19/h10,18H,4-9,17H2,1-3H3
InChIKeyQYVLUKQHBYDXKF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate

tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate (PubChem CID 84814963) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
PubChem CID84814963
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]c(C3CCC3)c(CN)c2C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-12-11(7-17)14(10-5-4-6-10)18-13(12)9-19/h10,18H,4-9,17H2,1-3H3
InChIKeyQYVLUKQHBYDXKF-UHFFFAOYSA-N
XLogP2.99
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(aminomethyl)-2-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 84815160
tert-butyl 2-(aminomethyl)-7-hydroxy-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 83488909
tert-butyl 3-[2-(aminomethyl)-1H-imidazol-5-yl]azetidine-1-carboxylate
CID 163403835
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid
CID 84807873
tert-butyl 3-formyl-2-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 82666899
tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate
CID 102970606
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3S)-3-(2H-triazol-4-yl)azepane-1-carboxylate
CID 155904354
tert-butyl 2-[5-(aminomethyl)thiophen-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 83949409
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-2-carboxylic acid
CID 155970550
tert-butyl 2,3,4,4a,5,7-hexahydro-1H-1,6-naphthyridine-6-carboxylate
CID 174848974

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate (CID 84814963) is tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2[nH]c(C3CCC3)c(CN)c2C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate?
The InChIKey is QYVLUKQHBYDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-12-11(7-17)14(10-5-4-6-10)18-13(12)9-19/h10,18H,4-9,17H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate?
tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-2-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate is sourced from PubChem (CID 84814963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).