(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid

C7H11NO3 — CID 138991561

IUPAC(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid
SMILESO=C(O)[C@@H]1CO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H11NO3/c9-7(10)5-3-11-6-2-8-1-4(5)6/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6-/m1/s1
InChIKeyKLYUZDUCOQCSMA-HSUXUTPPSA-N
MW157.17 g/mol
LogP-0.69
Rot. Bonds1

About (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid

(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid (PubChem CID 138991561) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid
PubChem CID138991561
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid
SMILESO=C(O)[C@@H]1CO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H11NO3/c9-7(10)5-3-11-6-2-8-1-4(5)6/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6-/m1/s1
InChIKeyKLYUZDUCOQCSMA-HSUXUTPPSA-N
XLogP-0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride
CID 138991560
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-3-ol
CID 146608981
(3S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-carboxylic acid
CID 124748850
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
(3R,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carboxylic acid
CID 78427034
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
CID 55253786
3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
CID 90322116
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid?
The IUPAC name of (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid (CID 138991561) is (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid.
What is the SMILES notation for (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid?
The canonical SMILES for (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid is O=C(O)[C@@H]1CO[C@@H]2CNC[C@@H]21.
What is the InChIKey of (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid?
The InChIKey is KLYUZDUCOQCSMA-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)5-3-11-6-2-8-1-4(5)6/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6-/m1/s1.
What are the key properties of (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid?
(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 138991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).