[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate

C10H17NO6 — CID 10729148

IUPAC[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)[C@@H]1[C@H](O)[C@H](O)C(O)N1C(C)=O
InChIInChI=1S/C10H17NO6/c1-4(17-6(3)13)7-8(14)9(15)10(16)11(7)5(2)12/h4,7-10,14-16H,1-3H3/t4-,7-,8+,9+,10?/m1/s1
InChIKeyDDAGITFYEQTBMZ-XBLNFMOASA-N
MW247.25 g/mol
LogP-1.79
Rot. Bonds2

About [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate

[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate (PubChem CID 10729148) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate
PubChem CID10729148
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)[C@@H]1[C@H](O)[C@H](O)C(O)N1C(C)=O
InChIInChI=1S/C10H17NO6/c1-4(17-6(3)13)7-8(14)9(15)10(16)11(7)5(2)12/h4,7-10,14-16H,1-3H3/t4-,7-,8+,9+,10?/m1/s1
InChIKeyDDAGITFYEQTBMZ-XBLNFMOASA-N
XLogP-1.79
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate with MolForge

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Related Compounds

oxy-2-(N-methylacetamido)-glucitol acetate
CID 129717973
Glucofuranosylglycoloyl-l-alanine
CID 129820292
(1-Acetyl-3,4,5-triacetyloxypyrrolidin-2-yl)methyl acetate
CID 265917
4-O-Acetyl-1,3,5,6-tetra-O-methyl-2-N-methylacetamido-2-deoxyhexitol
CID 101621139
3-Methyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-oxazolidin-2-one
CID 13753592
3-Propan-2-yl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-oxazolidin-2-one
CID 13753594
3-Tert-butyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-oxazolidin-2-one
CID 13753596
[(2S,3S,4S,5R)-2-[acetyl(methyl)amino]-3,5-diacetyloxy-2-hydroxy-4,6-dimethoxyhexyl] acetate
CID 18649211
2-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl acetate
CID 54078648
1-[(6R,6aS)-3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]ethanone
CID 57792788
1-[(6S,6aS)-3-hydroxy-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]ethanone
CID 57792832
N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide
CID 59760391

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate (CID 10729148) is [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate is CC(=O)O[C@H](C)[C@@H]1[C@H](O)[C@H](O)C(O)N1C(C)=O.
What is the InChIKey of [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate?
The InChIKey is DDAGITFYEQTBMZ-XBLNFMOASA-N. The full InChI is InChI=1S/C10H17NO6/c1-4(17-6(3)13)7-8(14)9(15)10(16)11(7)5(2)12/h4,7-10,14-16H,1-3H3/t4-,7-,8+,9+,10?/m1/s1.
What are the key properties of [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate?
[(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate has a molecular weight of 247.25 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3S,4S)-1-acetyl-3,4,5-trihydroxypyrrolidin-2-yl]ethyl] acetate is sourced from PubChem (CID 10729148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).