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

C7H12ClNO3 — CID 138991560

IUPAC(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H11NO3.ClH/c9-7(10)5-3-11-6-2-8-1-4(5)6;/h4-6,8H,1-3H2,(H,9,10);1H/t4-,5-,6-;/m1./s1
InChIKeyFQDWJFTVWTZUOK-RWOHWRPJSA-N
MW193.63 g/mol
LogP-0.27
Rot. Bonds1

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

(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride (PubChem CID 138991560) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 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;hydrochloride.

Molecular Properties

Compound Name(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride
PubChem CID138991560
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CO[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H11NO3.ClH/c9-7(10)5-3-11-6-2-8-1-4(5)6;/h4-6,8H,1-3H2,(H,9,10);1H/t4-,5-,6-;/m1./s1
InChIKeyFQDWJFTVWTZUOK-RWOHWRPJSA-N
XLogP-0.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-0.27
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;hydrochloride 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
CID 138991561
(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
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
(3R,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carboxylic acid
CID 78427034
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride
CID 155855911
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

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;hydrochloride?
The IUPAC name of (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride (CID 138991560) is (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride.
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;hydrochloride?
The canonical SMILES for (3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is FQDWJFTVWTZUOK-RWOHWRPJSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c9-7(10)5-3-11-6-2-8-1-4(5)6;/h4-6,8H,1-3H2,(H,9,10);1H/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;hydrochloride?
(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of -0.27, 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;hydrochloride is sourced from PubChem (CID 138991560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).