methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C12H22N2O3 — CID 62027276

IUPACmethyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-10(15)8-14-7-5-6-9(14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyGVZOTRLKAOEPGT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds3

About methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62027276) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62027276
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-10(15)8-14-7-5-6-9(14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyGVZOTRLKAOEPGT-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
tert-butyl (2S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
CID 81002230
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62027276) is methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)NC(C)(C)C.
What is the InChIKey of methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is GVZOTRLKAOEPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)13-10(15)8-14-7-5-6-9(14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).