(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C12H21NO5 — CID 11288404

IUPAC(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O
InChIInChI=1S/C12H21NO5/c1-7(2)10-6-18-12(17)13(10)11(16)5-9(15)4-8(3)14/h7-10,14-15H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyHEVBBNJVXZIPEJ-LPEHRKFASA-N
MW259.30 g/mol
LogP0.51
Rot. Bonds5

About (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11288404) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11288404
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O
InChIInChI=1S/C12H21NO5/c1-7(2)10-6-18-12(17)13(10)11(16)5-9(15)4-8(3)14/h7-10,14-15H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyHEVBBNJVXZIPEJ-LPEHRKFASA-N
XLogP0.51
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

tert-Butyl (2S)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate
CID 51342197
(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907770
(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907790
(4R)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70118281
(4R)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70119899
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10562191
tert-butyl (2R,3S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 10934133
(4S)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10956219
(4S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684902
(4S)-3-[(2R,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684903
(4S)-3-[(2S,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684904
(4S)-3-[(3S)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684936

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11288404) is (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O.
What is the InChIKey of (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HEVBBNJVXZIPEJ-LPEHRKFASA-N. The full InChI is InChI=1S/C12H21NO5/c1-7(2)10-6-18-12(17)13(10)11(16)5-9(15)4-8(3)14/h7-10,14-15H,4-6H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 259.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11288404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).