3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

C8H13NO5 — CID 67440932

IUPAC3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESCOC1CN(C(=O)O)C2C(O)COC12
InChIInChI=1S/C8H13NO5/c1-13-5-2-9(8(11)12)6-4(10)3-14-7(5)6/h4-7,10H,2-3H2,1H3,(H,11,12)
InChIKeyXLCVVVCJHWQKQK-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.88
Rot. Bonds1

About 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (PubChem CID 67440932) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
PubChem CID67440932
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESCOC1CN(C(=O)O)C2C(O)COC12
InChIInChI=1S/C8H13NO5/c1-13-5-2-9(8(11)12)6-4(10)3-14-7(5)6/h4-7,10H,2-3H2,1H3,(H,11,12)
InChIKeyXLCVVVCJHWQKQK-UHFFFAOYSA-N
XLogP-0.88
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The IUPAC name of 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (CID 67440932) is 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is COC1CN(C(=O)O)C2C(O)COC12.
What is the InChIKey of 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The InChIKey is XLCVVVCJHWQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-5-2-9(8(11)12)6-4(10)3-14-7(5)6/h4-7,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is sourced from PubChem (CID 67440932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).