(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one

C16H21NO4 — CID 135013429

IUPAC(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
SMILESC[C@H]1OC[C@@H](O)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H21NO4/c1-11-20-10-14(18)16(21-11)13-7-8-15(19)17(13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3/t11-,13+,14+,16+/m0/s1
InChIKeyXYSCORYVUCFLNB-ADSMDIBLSA-N
MW291.35 g/mol
LogP1.30
Rot. Bonds3

About (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one

(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one (PubChem CID 135013429) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
PubChem CID135013429
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
SMILESC[C@H]1OC[C@@H](O)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H21NO4/c1-11-20-10-14(18)16(21-11)13-7-8-15(19)17(13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3/t11-,13+,14+,16+/m0/s1
InChIKeyXYSCORYVUCFLNB-ADSMDIBLSA-N
XLogP1.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-benzyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162648255
(4R)-1-benzyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrrolidin-2-one
CID 162656015
(4S)-1-benzyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrrolidin-2-one
CID 162667275
(4S)-1-benzyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162670915
(4S)-1-benzyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162675752
(4R)-1-benzyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 162677199
(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118423801
(5R)-1-benzyl-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10884298
(5S)-1-benzyl-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 11038157
(5S)-1-benzyl-5-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
CID 53494485
methyl (4R)-4-[benzyl(hydroxy)amino]-4-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]butanoate
CID 135013428
(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013430

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one (CID 135013429) is (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one is C[C@H]1OC[C@@H](O)[C@@H]([C@H]2CCC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
The InChIKey is XYSCORYVUCFLNB-ADSMDIBLSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-20-10-14(18)16(21-11)13-7-8-15(19)17(13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16,18H,7-10H2,1H3/t11-,13+,14+,16+/m0/s1.
What are the key properties of (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one?
(5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-[(2S,4R,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 135013429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).