methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate

C11H18N2O3 — CID 112617221

IUPACmethyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
SMILESCOC(=O)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)10(14)13-7-4-9(8-13)12-5-2-3-6-12/h9H,2-8H2,1H3
InChIKeyJVKQYEMCAZWJOQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.14
Rot. Bonds1

About methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate

methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate (PubChem CID 112617221) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
PubChem CID112617221
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
SMILESCOC(=O)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c1-16-11(15)10(14)13-7-4-9(8-13)12-5-2-3-6-12/h9H,2-8H2,1H3
InChIKeyJVKQYEMCAZWJOQ-UHFFFAOYSA-N
XLogP-0.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetate
CID 79945645
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
methyl 2-(3-azabicyclo[3.2.0]heptan-3-yl)-2-oxoacetate
CID 164659262
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992014
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate (CID 112617221) is methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate is COC(=O)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate?
The InChIKey is JVKQYEMCAZWJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-11(15)10(14)13-7-4-9(8-13)12-5-2-3-6-12/h9H,2-8H2,1H3.
What are the key properties of methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate?
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate has a molecular weight of 226.28 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 112617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).