ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane

C17H35F3N2O3 — CID 172626113

IUPACethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
SMILESCC.CC.CC(C)C.COC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3.C4H10.2C2H6/c1-17-8(16)13-4-7(15)14-3-2-6(5-14)9(10,11)12;1-4(2)3;2*1-2/h6H,2-5H2,1H3,(H,13,16);4H,1-3H3;2*1-2H3/t6-;;;/m1.../s1
InChIKeyQDEWYZOOYALIPD-VMESQJNGSA-N
MW372.47 g/mol
LogP4.47
Rot. Bonds2

About ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane

ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane (PubChem CID 172626113) has the molecular formula C17H35F3N2O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane.

Molecular Properties

Compound Nameethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
PubChem CID172626113
Molecular FormulaC17H35F3N2O3
Molecular Weight372.47 g/mol
Exact Mass372.26
IUPAC Nameethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
SMILESCC.CC.CC(C)C.COC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3.C4H10.2C2H6/c1-17-8(16)13-4-7(15)14-3-2-6(5-14)9(10,11)12;1-4(2)3;2*1-2/h6H,2-5H2,1H3,(H,13,16);4H,1-3H3;2*1-2H3/t6-;;;/m1.../s1
InChIKeyQDEWYZOOYALIPD-VMESQJNGSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane with MolForge

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Related Compounds

methyl N-[(2S)-1-(3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 68574239
methyl N-[1-(3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 77516892
methyl N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89956747
methyl N-[(2S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118549134
methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 123916372
methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-yl]carbamate
CID 141387601
methyl N-[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 144308388
ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166156699
formamide;2-methylpropane;1,1,1-trifluoropropan-2-yl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
CID 167481041
butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521827
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 170311964
methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 172626018

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane?
The IUPAC name of ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane (CID 172626113) is ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane.
What is the SMILES notation for ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane?
The canonical SMILES for ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane is CC.CC.CC(C)C.COC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane?
The InChIKey is QDEWYZOOYALIPD-VMESQJNGSA-N. The full InChI is InChI=1S/C9H13F3N2O3.C4H10.2C2H6/c1-17-8(16)13-4-7(15)14-3-2-6(5-14)9(10,11)12;1-4(2)3;2*1-2/h6H,2-5H2,1H3,(H,13,16);4H,1-3H3;2*1-2H3/t6-;;;/m1.../s1.
What are the key properties of ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane?
ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane has a molecular weight of 372.47 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane is sourced from PubChem (CID 172626113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).