propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate

C10H15NO4 — CID 56957646

IUPACpropan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C)CC(=O)CC(=O)N1
InChIInChI=1S/C10H15NO4/c1-6(2)15-9(14)10(3)5-7(12)4-8(13)11-10/h6H,4-5H2,1-3H3,(H,11,13)/t10-/m0/s1
InChIKeyPKSFMPAWAPQDOV-JTQLQIEISA-N
MW213.23 g/mol
LogP0.18
Rot. Bonds2

About propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate

propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate (PubChem CID 56957646) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate
PubChem CID56957646
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namepropan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C)CC(=O)CC(=O)N1
InChIInChI=1S/C10H15NO4/c1-6(2)15-9(14)10(3)5-7(12)4-8(13)11-10/h6H,4-5H2,1-3H3,(H,11,13)/t10-/m0/s1
InChIKeyPKSFMPAWAPQDOV-JTQLQIEISA-N
XLogP0.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate?
The IUPAC name of propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate (CID 56957646) is propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate is CC(C)OC(=O)[C@]1(C)CC(=O)CC(=O)N1.
What is the InChIKey of propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate?
The InChIKey is PKSFMPAWAPQDOV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(2)15-9(14)10(3)5-7(12)4-8(13)11-10/h6H,4-5H2,1-3H3,(H,11,13)/t10-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate?
propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate is sourced from PubChem (CID 56957646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).