(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione

C14H21NO4 — CID 162882457

IUPAC(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
SMILESCC/C=C(\C)C(=O)C[C@H](O)C[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H21NO4/c1-3-4-9(2)12(17)8-11(16)7-10-5-6-13(18)15-14(10)19/h4,10-11,16H,3,5-8H2,1-2H3,(H,15,18,19)/b9-4+/t10-,11+/m0/s1
InChIKeyZMMFJEPVGYCTIN-LTJOXERKSA-N
MW267.32 g/mol
LogP1.11
Rot. Bonds6

About (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione

(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione (PubChem CID 162882457) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
PubChem CID162882457
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
SMILESCC/C=C(\C)C(=O)C[C@H](O)C[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H21NO4/c1-3-4-9(2)12(17)8-11(16)7-10-5-6-13(18)15-14(10)19/h4,10-11,16H,3,5-8H2,1-2H3,(H,15,18,19)/b9-4+/t10-,11+/m0/s1
InChIKeyZMMFJEPVGYCTIN-LTJOXERKSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(3-acetylhexyl)piperidine-2,6-dione
CID 91137997
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
CID 166993001
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
3-methyl-4-(2-methylpent-2-enoyl)piperazine-2,6-dione
CID 77111736
4-[(2,6-dioxopiperidin-3-yl)amino]-2-methylbut-2-enoic acid
CID 103255547
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
CID 141037172
2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
CID 174434170
1-[2-acetyl-3-(4-aminobutoxy)phenyl]ethanone;3-ethylpiperidine-2,6-dione
CID 156886515
(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-1-methylsulfanylbut-1-ene;N-(2,6-dioxopiperidin-3-yl)formamide
CID 156745047
ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 171788463

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione (CID 162882457) is (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione is CC/C=C(\C)C(=O)C[C@H](O)C[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione?
The InChIKey is ZMMFJEPVGYCTIN-LTJOXERKSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-4-9(2)12(17)8-11(16)7-10-5-6-13(18)15-14(10)19/h4,10-11,16H,3,5-8H2,1-2H3,(H,15,18,19)/b9-4+/t10-,11+/m0/s1.
What are the key properties of (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione?
(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione has a molecular weight of 267.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione is sourced from PubChem (CID 162882457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).