(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one

C10H17NO5 — CID 102396162

IUPAC(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
SMILESCC1(C)O[C@H]([C@H]2C[C@H](O)C(=O)N2)[C@H](CO)O1
InChIInChI=1S/C10H17NO5/c1-10(2)15-7(4-12)8(16-10)5-3-6(13)9(14)11-5/h5-8,12-13H,3-4H2,1-2H3,(H,11,14)/t5-,6+,7+,8-/m1/s1
InChIKeyZPPFTGJXOPMIMI-VGRMVHKJSA-N
MW231.25 g/mol
LogP-1.25
Rot. Bonds2

About (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one

(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one (PubChem CID 102396162) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
PubChem CID102396162
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
SMILESCC1(C)O[C@H]([C@H]2C[C@H](O)C(=O)N2)[C@H](CO)O1
InChIInChI=1S/C10H17NO5/c1-10(2)15-7(4-12)8(16-10)5-3-6(13)9(14)11-5/h5-8,12-13H,3-4H2,1-2H3,(H,11,14)/t5-,6+,7+,8-/m1/s1
InChIKeyZPPFTGJXOPMIMI-VGRMVHKJSA-N
XLogP-1.25
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-5-[(1R,2S,3R)-1-acetamido-2,3,4-trihydroxybutyl]-2,4-dihydroxyoxolane-2-carboxylic acid
CID 10335476
N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]hexanamide
CID 25268564
5-(1-Acetylamino-2,3,4-trihydroxy-butyl)-2,4-dihydroxy-tetrahydro-furan-2-carboxylic acid
CID 44344232
(4S,5R)-5-[(1S)-1-acetamido-2,3,4-trihydroxy-butyl]-2,4-dihydroxy-tetrahydrofuran-2-carboxylic acid
CID 506138
methyl (4S,5R)-5-acetamido-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methoxypentanoate
CID 102280522
4-Hydroxy-5-(tetrahydro-6-hydroxy-2,2-dimethylfuro[2,3-d]-1,3-dioxol-5-yl)-2-pyrrolidinone
CID 14729338
(4S,5S)-5-[(3aR,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-hydroxypyrrolidin-2-one
CID 57150134
(4S,5R)-5-[(3aR,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-hydroxypyrrolidin-2-one
CID 67756926
3-[(2R,3R)-3-hydroxyoxolan-2-yl]-N-[(2S)-2-(methoxymethyl)oxolan-3-yl]propanamide
CID 173773385
(4R,5R)-5-[(1R,2S,3R)-1-acetamido-2,3,4-trihydroxybutyl]-2,4-dihydroxyoxolane-2-carboxylic acid
CID 9995460
(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10037503
(5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one
CID 10490406

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The IUPAC name of (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one (CID 102396162) is (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one is CC1(C)O[C@H]([C@H]2C[C@H](O)C(=O)N2)[C@H](CO)O1.
What is the InChIKey of (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The InChIKey is ZPPFTGJXOPMIMI-VGRMVHKJSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2)15-7(4-12)8(16-10)5-3-6(13)9(14)11-5/h5-8,12-13H,3-4H2,1-2H3,(H,11,14)/t5-,6+,7+,8-/m1/s1.
What are the key properties of (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
(3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-hydroxy-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 102396162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).