[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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Related Compounds

3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
[(E)-3-chloroprop-2-enyl] 2-(2-oxoazepan-1-yl)acetate
CID 75412929
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115968684
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81485956
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432

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).