(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one

C19H25NO6 — CID 102355012

IUPAC(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one
SMILESCO[C@H]1O[C@H]([C@H]2C[C@@H](O)C(=O)N2Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H25NO6/c1-19(2)25-15-14(24-18(23-3)16(15)26-19)12-9-13(21)17(22)20(12)10-11-7-5-4-6-8-11/h4-8,12-16,18,21H,9-10H2,1-3H3/t12-,13-,14-,15+,16+,18+/m1/s1
InChIKeyPAWXFNLUPYTZEB-UDOHHAEJSA-N
MW363.41 g/mol
LogP1.04
Rot. Bonds4

About (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one

(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one (PubChem CID 102355012) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one
PubChem CID102355012
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one
SMILESCO[C@H]1O[C@H]([C@H]2C[C@@H](O)C(=O)N2Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H25NO6/c1-19(2)25-15-14(24-18(23-3)16(15)26-19)12-9-13(21)17(22)20(12)10-11-7-5-4-6-8-11/h4-8,12-16,18,21H,9-10H2,1-3H3/t12-,13-,14-,15+,16+,18+/m1/s1
InChIKeyPAWXFNLUPYTZEB-UDOHHAEJSA-N
XLogP1.04
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one with MolForge

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Related Compounds

(3S,4S)-4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxyazetidin-2-one
CID 10712765
(3S,4S,5S,6R)-6-[(3aS,4R,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3,4-bis(phenylmethoxy)-1-azabicyclo[3.2.0]heptan-7-one
CID 56838994
4-benzyl-3-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-1,2,4-triazole
CID 22992065
4-benzyl-6-hydroxy-2-(iodomethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one
CID 54477128
(3aR,4R,8R,8aR)-6-benzyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol
CID 10424474
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-benzyl-1H-1,2,4-triazole-5-thione
CID 59094532
(3S,4R)-1-benzyl-3-phenylmethoxy-4-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]azetidin-2-one
CID 10720041
(1S,4R,5S,6R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 101036633
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
benzyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonyl)amino]carbamate
CID 22992070
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one (CID 102355012) is (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one is CO[C@H]1O[C@H]([C@H]2C[C@@H](O)C(=O)N2Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one?
The InChIKey is PAWXFNLUPYTZEB-UDOHHAEJSA-N. The full InChI is InChI=1S/C19H25NO6/c1-19(2)25-15-14(24-18(23-3)16(15)26-19)12-9-13(21)17(22)20(12)10-11-7-5-4-6-8-11/h4-8,12-16,18,21H,9-10H2,1-3H3/t12-,13-,14-,15+,16+,18+/m1/s1.
What are the key properties of (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one?
(3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one has a molecular weight of 363.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-benzyl-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 102355012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).