(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate

C17H28N2O5 — CID 149084260

IUPAC(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate
SMILESCC(C)C(CC(=O)OCC(C)(C)N)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C17H28N2O5/c1-10(2)12(8-14(21)24-9-17(3,4)18)13(20)7-11-5-6-19-16(23)15(11)22/h10-12H,5-9,18H2,1-4H3,(H,19,23)
InChIKeyQQYBEHVRTWRXGL-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.59
Rot. Bonds8

About (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate

(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate (PubChem CID 149084260) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate.

Molecular Properties

Compound Name(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate
PubChem CID149084260
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate
SMILESCC(C)C(CC(=O)OCC(C)(C)N)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C17H28N2O5/c1-10(2)12(8-14(21)24-9-17(3,4)18)13(20)7-11-5-6-19-16(23)15(11)22/h10-12H,5-9,18H2,1-4H3,(H,19,23)
InChIKeyQQYBEHVRTWRXGL-UHFFFAOYSA-N
XLogP0.59
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate with MolForge

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Related Compounds

4-(2,5-dioxo-3-propan-2-yl-6-pyridin-4-ylhexyl)piperidine-2,3-dione
CID 158614396
2,2-dimethylpropyl 3-[[1-(2,3-dioxopiperidin-4-yl)-5-methyl-2-oxohexan-3-yl]carbamoyl]-5-methylhexanoate
CID 158111412
O-(pyridin-3-ylmethyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanethioate
CID 158428043
2,2-dimethylpropyl N-[1-(5,6-dioxo-11-thia-4,12-diazabicyclo[8.2.1]trideca-1(12),10(13)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 153017872
2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159358466
benzyl N-[1-(2,3-dioxoazocan-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159420540
2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate
CID 138730226
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,14,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 161387553
2,2-dimethylpropyl N-[1-(6,7-dioxo-5,14,15-triazabicyclo[10.3.0]pentadeca-1(12),13-dien-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159469235
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,13,14-triazabicyclo[10.3.0]pentadeca-1(12),14-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 146889761
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,12,15-triazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159638464
2,2-dimethylpropyl 3-[[1-(3,4-dioxooxazocan-5-yl)-5-methyl-2-oxohexan-3-yl]carbamoyl]-4-methylhexanoate
CID 158209337

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate?
The IUPAC name of (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate (CID 149084260) is (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate.
What is the SMILES notation for (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate?
The canonical SMILES for (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate is CC(C)C(CC(=O)OCC(C)(C)N)C(=O)CC1CCNC(=O)C1=O.
What is the InChIKey of (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate?
The InChIKey is QQYBEHVRTWRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-10(2)12(8-14(21)24-9-17(3,4)18)13(20)7-11-5-6-19-16(23)15(11)22/h10-12H,5-9,18H2,1-4H3,(H,19,23).
What are the key properties of (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate?
(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate has a molecular weight of 340.42 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate is sourced from PubChem (CID 149084260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).