methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate

C12H21NO4 — CID 112603602

IUPACmethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-6-5-9(7-13)11(15)16-4/h9H,5-8H2,1-4H3
InChIKeyMKEKYPIXGKADSX-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds3

About methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate

methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate (PubChem CID 112603602) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate
PubChem CID112603602
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-6-5-9(7-13)11(15)16-4/h9H,5-8H2,1-4H3
InChIKeyMKEKYPIXGKADSX-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(tert-butylamino)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 164785489
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
methyl 1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-carboxylate
CID 79035901
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 112629807
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
1-O-tert-butyl 3-O-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55443009
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate (CID 112603602) is methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)COC(C)(C)C)C1.
What is the InChIKey of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate?
The InChIKey is MKEKYPIXGKADSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-6-5-9(7-13)11(15)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate?
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112603602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).