methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate

C11H19NO3 — CID 112617445

IUPACmethyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
SMILESCCC1(CC)CCN(C(=O)C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-11(5-2)6-7-12(8-11)9(13)10(14)15-3/h4-8H2,1-3H3
InChIKeyGFCLVMMQACLOBV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds2

About methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate

methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate (PubChem CID 112617445) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
PubChem CID112617445
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
SMILESCCC1(CC)CCN(C(=O)C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-11(5-2)6-7-12(8-11)9(13)10(14)15-3/h4-8H2,1-3H3
InChIKeyGFCLVMMQACLOBV-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119782206
propan-2-yl 4,4-diethylpiperidine-1-carboxylate
CID 116655860
1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80591962
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
3,3-diethyl-N-(1-methoxypropan-2-yl)pyrrolidine-1-carbothioamide
CID 113254039
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
4-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 81079989
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
methyl 2-(1,2,5-dithiazepan-5-yl)-2-oxoacetate
CID 126990739
5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 82688893
(2-bromo-5-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81110144

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate (CID 112617445) is methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate is CCC1(CC)CCN(C(=O)C(=O)OC)C1.
What is the InChIKey of methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate?
The InChIKey is GFCLVMMQACLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-11(5-2)6-7-12(8-11)9(13)10(14)15-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate?
methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate is sourced from PubChem (CID 112617445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).