(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

C8H13NO3 — CID 146115814

IUPAC(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCN1C[C@@H]2COC[C@]2(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-9-2-6-3-12-5-8(6,4-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyOEFWVODRJFMYAD-HTRCEHHLSA-N
MW171.20 g/mol
LogP-0.35
Rot. Bonds1

About (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 146115814) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID146115814
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCN1C[C@@H]2COC[C@]2(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-9-2-6-3-12-5-8(6,4-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyOEFWVODRJFMYAD-HTRCEHHLSA-N
XLogP-0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (CID 146115814) is (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is CN1C[C@@H]2COC[C@]2(C(=O)O)C1.
What is the InChIKey of (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is OEFWVODRJFMYAD-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NO3/c1-9-2-6-3-12-5-8(6,4-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 146115814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).