2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid

C10H12N2O2 — CID 82402792

IUPAC2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH]c2c1CNC2
InChIInChI=1S/C10H12N2O2/c13-10(14)8-6-3-11-4-7(6)12-9(8)5-1-2-5/h5,11-12H,1-4H2,(H,13,14)
InChIKeyGVXWJYQAHBGVRK-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.19
Rot. Bonds2

About 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid

2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid (PubChem CID 82402792) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid
PubChem CID82402792
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH]c2c1CNC2
InChIInChI=1S/C10H12N2O2/c13-10(14)8-6-3-11-4-7(6)12-9(8)5-1-2-5/h5,11-12H,1-4H2,(H,13,14)
InChIKeyGVXWJYQAHBGVRK-UHFFFAOYSA-N
XLogP1.19
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid (CID 82402792) is 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid is O=C(O)c1c(C2CC2)[nH]c2c1CNC2.
What is the InChIKey of 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid?
The InChIKey is GVXWJYQAHBGVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-6-3-11-4-7(6)12-9(8)5-1-2-5/h5,11-12H,1-4H2,(H,13,14).
What are the key properties of 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid?
2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carboxylic acid is sourced from PubChem (CID 82402792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).