[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride

C12H20ClNO5 — CID 139633052

IUPAC[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
SMILESCC(C)(C)C(=O)OCOC(=O)CN1CCCC1=O.Cl
InChIInChI=1S/C12H19NO5.ClH/c1-12(2,3)11(16)18-8-17-10(15)7-13-6-4-5-9(13)14;/h4-8H2,1-3H3;1H
InChIKeyAWGNVSUARBDNNK-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.12
Rot. Bonds4

About [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride

[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride (PubChem CID 139633052) has the molecular formula C12H20ClNO5 and a molecular weight of 293.75 g/mol. Its IUPAC name is [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Name[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
PubChem CID139633052
Molecular FormulaC12H20ClNO5
Molecular Weight293.75 g/mol
Exact Mass293.10
IUPAC Name[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
SMILESCC(C)(C)C(=O)OCOC(=O)CN1CCCC1=O.Cl
InChIInChI=1S/C12H19NO5.ClH/c1-12(2,3)11(16)18-8-17-10(15)7-13-6-4-5-9(13)14;/h4-8H2,1-3H3;1H
InChIKeyAWGNVSUARBDNNK-UHFFFAOYSA-N
XLogP1.12
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride (CID 139633052) is [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride is CC(C)(C)C(=O)OCOC(=O)CN1CCCC1=O.Cl.
What is the InChIKey of [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride?
The InChIKey is AWGNVSUARBDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5.ClH/c1-12(2,3)11(16)18-8-17-10(15)7-13-6-4-5-9(13)14;/h4-8H2,1-3H3;1H.
What are the key properties of [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride?
[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 139633052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).