(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride

C17H23ClN2O4 — CID 154919495

IUPAC(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C17H22N2O4.ClH/c20-14-9-23-15-13(8-22-16(14)15)19-17(21)12-7-6-11(18-12)10-4-2-1-3-5-10;/h1-5,11-16,18,20H,6-9H2,(H,19,21);1H/t11-,12-,13-,14-,15-,16-;/m1./s1
InChIKeyFBJAXMMXCJIJRJ-TWFRIJMYSA-N
MW354.83 g/mol
LogP0.54
Rot. Bonds3

About (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride

(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 154919495) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID154919495
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C17H22N2O4.ClH/c20-14-9-23-15-13(8-22-16(14)15)19-17(21)12-7-6-11(18-12)10-4-2-1-3-5-10;/h1-5,11-16,18,20H,6-9H2,(H,19,21);1H/t11-,12-,13-,14-,15-,16-;/m1./s1
InChIKeyFBJAXMMXCJIJRJ-TWFRIJMYSA-N
XLogP0.54
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154887354
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
(2R,5R)-5-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 154569424
2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 70968802
tert-butyl (2S)-5-phenylpyrrolidine-2-carboxylate
CID 15837692
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 154919495) is (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)[C@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FBJAXMMXCJIJRJ-TWFRIJMYSA-N. The full InChI is InChI=1S/C17H22N2O4.ClH/c20-14-9-23-15-13(8-22-16(14)15)19-17(21)12-7-6-11(18-12)10-4-2-1-3-5-10;/h1-5,11-16,18,20H,6-9H2,(H,19,21);1H/t11-,12-,13-,14-,15-,16-;/m1./s1.
What are the key properties of (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154919495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).