3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid

C11H16N4O4 — CID 133058260

IUPAC3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2c(N)nn(C(=O)O)c2C1
InChIInChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-6-7(5-14)15(9(16)17)13-8(6)12/h4-5H2,1-3H3,(H2,12,13)(H,16,17)
InChIKeyYQWWLGLLXIRSPV-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.24
Rot. Bonds

About 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid

3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid (PubChem CID 133058260) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
PubChem CID133058260
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2c(N)nn(C(=O)O)c2C1
InChIInChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-6-7(5-14)15(9(16)17)13-8(6)12/h4-5H2,1-3H3,(H2,12,13)(H,16,17)
InChIKeyYQWWLGLLXIRSPV-UHFFFAOYSA-N
XLogP1.24
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid with MolForge

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Related Compounds

methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 83847672
tert-butyl 1-(cyclopropanecarbonyl)-3-[(4-methylbenzoyl)amino]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 71476793
tert-butyl 3-[(4-fluorobenzoyl)amino]-1-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 141417095
tert-butyl 3-iodo-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 155595256
tert-butyl 3-amino-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 83382871
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 1-(2-oxopropyl)-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90162705
5-O-tert-butyl 1-O-ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydropyrrolo[3,4-d]pyrazole-1,5-dicarboxylate
CID 11237328
tert-butyl 1-benzyl-3-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 130431160
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 57415656
tert-butyl 4-amino-2-methylsulfanyl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine-8-carboxylate
CID 162458057
tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 153408805

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The IUPAC name of 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid (CID 133058260) is 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid is CC(C)(C)OC(=O)N1Cc2c(N)nn(C(=O)O)c2C1.
What is the InChIKey of 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The InChIKey is YQWWLGLLXIRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-6-7(5-14)15(9(16)17)13-8(6)12/h4-5H2,1-3H3,(H2,12,13)(H,16,17).
What are the key properties of 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid is sourced from PubChem (CID 133058260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).