1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid

C7H12N2O2 — CID 67231854

IUPAC1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
SMILESO=C(O)C1NCC2CNCC21
InChIInChI=1S/C7H12N2O2/c10-7(11)6-5-3-8-1-4(5)2-9-6/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyWFPPVPZFBXSODQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.12
Rot. Bonds1

About 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid

1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid (PubChem CID 67231854) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
PubChem CID67231854
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
SMILESO=C(O)C1NCC2CNCC21
InChIInChI=1S/C7H12N2O2/c10-7(11)6-5-3-8-1-4(5)2-9-6/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyWFPPVPZFBXSODQ-UHFFFAOYSA-N
XLogP-1.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid (CID 67231854) is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid is O=C(O)C1NCC2CNCC21.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid?
The InChIKey is WFPPVPZFBXSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)6-5-3-8-1-4(5)2-9-6/h4-6,8-9H,1-3H2,(H,10,11).
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid?
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid is sourced from PubChem (CID 67231854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).