[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate

C15H23NO7 — CID 101011044

IUPAC[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1[C@H]1CCCC[C@@H]1OC(C)=O
InChIInChI=1S/C15H23NO7/c1-8(17)22-7-11-13(19)14(20)15(21)16(11)10-5-3-4-6-12(10)23-9(2)18/h10-14,19-20H,3-7H2,1-2H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyRQWGWRXMSFGQKP-MEBFFEOJSA-N
MW329.35 g/mol
LogP-0.64
Rot. Bonds4

About [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate

[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate (PubChem CID 101011044) has the molecular formula C15H23NO7 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate
PubChem CID101011044
Molecular FormulaC15H23NO7
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Name[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1[C@H]1CCCC[C@@H]1OC(C)=O
InChIInChI=1S/C15H23NO7/c1-8(17)22-7-11-13(19)14(20)15(21)16(11)10-5-3-4-6-12(10)23-9(2)18/h10-14,19-20H,3-7H2,1-2H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyRQWGWRXMSFGQKP-MEBFFEOJSA-N
XLogP-0.64
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate with MolForge

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Related Compounds

tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 49788166
methyl (2R)-2-hydroxy-2-[(3R,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradecan-3-yl]acetate
CID 57984562
[(3R)-1-[(1S,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58798140
(3R)-1-((1R,2R)-2-Hydroxycyclohex-1-yl)-2,5-dioxopyrrolidin-3-yl acetate
CID 58856246
[3-deuterio-1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58856253
[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 59383507
[1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 68453982
[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 143380202
tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 11777422
(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethoxymethyl)-1-propylpyrrolidin-2-one
CID 101834726
3,4-Dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
CID 130147940
(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
CID 130918283

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate (CID 101011044) is [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate is CC(=O)OC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1[C@H]1CCCC[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate?
The InChIKey is RQWGWRXMSFGQKP-MEBFFEOJSA-N. The full InChI is InChI=1S/C15H23NO7/c1-8(17)22-7-11-13(19)14(20)15(21)16(11)10-5-3-4-6-12(10)23-9(2)18/h10-14,19-20H,3-7H2,1-2H3/t10-,11+,12-,13+,14+/m0/s1.
What are the key properties of [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate?
[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate has a molecular weight of 329.35 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate is sourced from PubChem (CID 101011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).