ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate

C12H21NO4 — CID 103021763

IUPACethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(C)(C)OC
InChIInChI=1S/C12H21NO4/c1-5-17-10(14)9-7-6-8-13(9)11(15)12(2,3)16-4/h9H,5-8H2,1-4H3
InChIKeyGTCBHTHATHEKAB-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds4

About ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate

ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 103021763) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID103021763
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)C(C)(C)OC
InChIInChI=1S/C12H21NO4/c1-5-17-10(14)9-7-6-8-13(9)11(15)12(2,3)16-4/h9H,5-8H2,1-4H3
InChIKeyGTCBHTHATHEKAB-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 86238608
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(4,4,4-trifluoro-3-methylbut-2-enoyl)pyrrolidine-2-carboxylate
CID 123554694
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate (CID 103021763) is ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)C(C)(C)OC.
What is the InChIKey of ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is GTCBHTHATHEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-17-10(14)9-7-6-8-13(9)11(15)12(2,3)16-4/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 103021763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).