(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

C12H19NO5 — CID 71305861

IUPAC(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-8-5-17-7-12(8,6-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m0/s1
InChIKeyYHUJAKLVDJODPS-UFBFGSQYSA-N
MW257.29 g/mol
LogP0.95
Rot. Bonds1

About (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 71305861) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID71305861
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-8-5-17-7-12(8,6-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m0/s1
InChIKeyYHUJAKLVDJODPS-UFBFGSQYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (CID 71305861) is (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1.
What is the InChIKey of (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is YHUJAKLVDJODPS-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-8-5-17-7-12(8,6-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m0/s1.
What are the key properties of (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 71305861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).