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

C12H21NO4 — CID 155797910

IUPACmethyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-10(14)8-13-7-5-6-9(13)11(15)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyIGDWARGPVYWWPS-VIFPVBQESA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds3

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

methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 155797910) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID155797910
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-10(14)8-13-7-5-6-9(13)11(15)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyIGDWARGPVYWWPS-VIFPVBQESA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl (2S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
CID 81002230
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 80710850

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 155797910) is methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1CC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is IGDWARGPVYWWPS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-10(14)8-13-7-5-6-9(13)11(15)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 155797910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).