methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate

C13H18N2O6 — CID 115971202

IUPACmethyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O6/c1-21-13(20)9-6-8(16)7-15(9)12(19)4-5-14-10(17)2-3-11(14)18/h8-9,16H,2-7H2,1H3
InChIKeyQORFIXLFYFZORO-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.34
Rot. Bonds4

About methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971202) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971202
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Namemethyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O6/c1-21-13(20)9-6-8(16)7-15(9)12(19)4-5-14-10(17)2-3-11(14)18/h8-9,16H,2-7H2,1H3
InChIKeyQORFIXLFYFZORO-UHFFFAOYSA-N
XLogP-1.34
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971295
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S,4S)-4-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 130286037
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997
methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 112632347
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632554
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl 4-hydroxy-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylate
CID 115971332
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 115971202) is methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is QORFIXLFYFZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-21-13(20)9-6-8(16)7-15(9)12(19)4-5-14-10(17)2-3-11(14)18/h8-9,16H,2-7H2,1H3.
What are the key properties of methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 298.30 g/mol, XLogP of -1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).