3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

C8H13NO5 — CID 67440509

IUPAC3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESO=C(O)N1CCC2OCC(OCO)C21
InChIInChI=1S/C8H13NO5/c10-4-14-6-3-13-5-1-2-9(7(5)6)8(11)12/h5-7,10H,1-4H2,(H,11,12)
InChIKeyKIAPKCSGINZROV-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.53
Rot. Bonds2

About 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid

3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (PubChem CID 67440509) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
PubChem CID67440509
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid
SMILESO=C(O)N1CCC2OCC(OCO)C21
InChIInChI=1S/C8H13NO5/c10-4-14-6-3-13-5-1-2-9(7(5)6)8(11)12/h5-7,10H,1-4H2,(H,11,12)
InChIKeyKIAPKCSGINZROV-UHFFFAOYSA-N
XLogP-0.53
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The IUPAC name of 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid (CID 67440509) is 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The canonical SMILES for 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is O=C(O)N1CCC2OCC(OCO)C21.
What is the InChIKey of 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
The InChIKey is KIAPKCSGINZROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c10-4-14-6-3-13-5-1-2-9(7(5)6)8(11)12/h5-7,10H,1-4H2,(H,11,12).
What are the key properties of 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid?
3-(hydroxymethoxy)-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 -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylic acid is sourced from PubChem (CID 67440509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).