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

C7H11NO4 — CID 135347050

IUPAC2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1CC2CC(O)OC2C1
InChIInChI=1S/C7H11NO4/c9-6-1-4-2-8(7(10)11)3-5(4)12-6/h4-6,9H,1-3H2,(H,10,11)
InChIKeyCYSOTCCDMCHFPN-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.30
Rot. Bonds

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

2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid (PubChem CID 135347050) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
PubChem CID135347050
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1CC2CC(O)OC2C1
InChIInChI=1S/C7H11NO4/c9-6-1-4-2-8(7(10)11)3-5(4)12-6/h4-6,9H,1-3H2,(H,10,11)
InChIKeyCYSOTCCDMCHFPN-UHFFFAOYSA-N
XLogP-0.30
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The IUPAC name of 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid (CID 135347050) is 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid is O=C(O)N1CC2CC(O)OC2C1.
What is the InChIKey of 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The InChIKey is CYSOTCCDMCHFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6-1-4-2-8(7(10)11)3-5(4)12-6/h4-6,9H,1-3H2,(H,10,11).
What are the key properties of 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 135347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).