tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate

C17H26N2O4 — CID 99824146

IUPACtert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)co1
InChIInChI=1S/C17H26N2O4/c1-12-9-13(11-22-12)15(20)19-8-6-7-14(19)10-18(5)16(21)23-17(2,3)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1
InChIKeyUCFCOSWQKRKMIV-CQSZACIVSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate

tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate (PubChem CID 99824146) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate
PubChem CID99824146
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)co1
InChIInChI=1S/C17H26N2O4/c1-12-9-13(11-22-12)15(20)19-8-6-7-14(19)10-18(5)16(21)23-17(2,3)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1
InChIKeyUCFCOSWQKRKMIV-CQSZACIVSA-N
XLogP3.06
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate
CID 104978889
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
CID 71988615
tert-butyl N-[2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 86951366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate (CID 99824146) is tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate is Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)co1.
What is the InChIKey of tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is UCFCOSWQKRKMIV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-9-13(11-22-12)15(20)19-8-6-7-14(19)10-18(5)16(21)23-17(2,3)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 99824146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).