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

C12H21NO4 — CID 112603577

IUPACmethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-7-5-6-9(13)11(15)16-4/h9H,5-8H2,1-4H3
InChIKeyQDGUISUTXIZQAF-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds3

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

methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate (PubChem CID 112603577) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
PubChem CID112603577
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-7-5-6-9(13)11(15)16-4/h9H,5-8H2,1-4H3
InChIKeyQDGUISUTXIZQAF-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
methyl 1-[4-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carbonyl]pyrrolidine-2-carboxylate
CID 163979459
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate
CID 65290339
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate (CID 112603577) is methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)COC(C)(C)C.
What is the InChIKey of methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate?
The InChIKey is QDGUISUTXIZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-8-10(14)13-7-5-6-9(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-2-carboxylate?
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 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-2-carboxylate is sourced from PubChem (CID 112603577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).