1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione

C15H24N2O6 — CID 67620494

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.O=C1CCC(=O)N1
InChIInChI=1S/C11H19NO4.C4H5NO2/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;6-3-1-2-4(7)5-3/h8H,4-7H2,1-3H3,(H,13,14);1-2H2,(H,5,6,7)
InChIKeyGVZXHUZGUVBPSZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.14
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione

1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione (PubChem CID 67620494) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
PubChem CID67620494
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.O=C1CCC(=O)N1
InChIInChI=1S/C11H19NO4.C4H5NO2/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;6-3-1-2-4(7)5-3/h8H,4-7H2,1-3H3,(H,13,14);1-2H2,(H,5,6,7)
InChIKeyGVZXHUZGUVBPSZ-UHFFFAOYSA-N
XLogP1.14
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 2-oxo-3,4,5,6,8,9-hexahydro-1H-pyrido[2,3-d]azepine-7-carboxylate
CID 145451601
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;methoxyethane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 160695489
tert-butyl 4-prop-2-ynoylpiperidine-1-carboxylate
CID 165470903
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 4-methyl-5-oxoazepane-1-carboxylate;hydrochloride
CID 133062275
tert-butyl (4S)-4-fluoro-5-oxoazepane-1-carboxylate
CID 124523417

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione (CID 67620494) is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione is CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.O=C1CCC(=O)N1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione?
The InChIKey is GVZXHUZGUVBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4.C4H5NO2/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;6-3-1-2-4(7)5-3/h8H,4-7H2,1-3H3,(H,13,14);1-2H2,(H,5,6,7).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione?
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione has a molecular weight of 328.37 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 67620494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).