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

C8H14N2O3 — CID 68786642

IUPAC1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
SMILESCON1CCC2CN(C(=O)O)CC21
InChIInChI=1S/C8H14N2O3/c1-13-10-3-2-6-4-9(8(11)12)5-7(6)10/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyYXYQJBZJZSCUST-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.23
Rot. Bonds1

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

1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid (PubChem CID 68786642) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
PubChem CID68786642
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
SMILESCON1CCC2CN(C(=O)O)CC21
InChIInChI=1S/C8H14N2O3/c1-13-10-3-2-6-4-9(8(11)12)5-7(6)10/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyYXYQJBZJZSCUST-UHFFFAOYSA-N
XLogP0.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 67928969
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
(4aR,6S,7aS)-6-methylsulfonyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylic acid
CID 141384265
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(1R,5S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-diazabicyclo[3.2.0]heptane-3-carboxylic acid
CID 23532193
1-[(3aR,6aR)-1-cyclopropyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]ethanone
CID 89482515
1-pyridin-3-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 22646976
methyl 2-(3-azabicyclo[3.2.0]heptan-3-yl)-2-oxoacetate
CID 164659262
ditert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1,5-dicarboxylate
CID 77134389
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid?
The IUPAC name of 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid (CID 68786642) is 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid is CON1CCC2CN(C(=O)O)CC21.
What is the InChIKey of 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid?
The InChIKey is YXYQJBZJZSCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-10-3-2-6-4-9(8(11)12)5-7(6)10/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid?
1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 68786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).