tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate

C17H29N3O4 — CID 126822426

IUPACtert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C)(C(N)=O)C2)CCC1
InChIInChI=1S/C17H29N3O4/c1-15(2,3)24-14(23)19(5)17(7-6-8-17)13(22)20-10-9-16(4,11-20)12(18)21/h6-11H2,1-5H3,(H2,18,21)
InChIKeyXYXKBIQAOBTZRV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.50
Rot. Bonds3

About tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate

tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate (PubChem CID 126822426) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate
PubChem CID126822426
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nametert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C)(C(N)=O)C2)CCC1
InChIInChI=1S/C17H29N3O4/c1-15(2,3)24-14(23)19(5)17(7-6-8-17)13(22)20-10-9-16(4,11-20)12(18)21/h6-11H2,1-5H3,(H2,18,21)
InChIKeyXYXKBIQAOBTZRV-UHFFFAOYSA-N
XLogP1.50
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate
CID 165468411
(2S)-1-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 70071960
2-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 114082415
tert-butyl 3-[(E)-but-2-enoyl]-3-methylpyrrolidine-1-carboxylate
CID 165466641
tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
CID 165471468
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
ethyl 4-(3-carbamoyl-3-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 114081822
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081922
3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
CID 114070516
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate (CID 126822426) is tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C)(C(N)=O)C2)CCC1.
What is the InChIKey of tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate?
The InChIKey is XYXKBIQAOBTZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-15(2,3)24-14(23)19(5)17(7-6-8-17)13(22)20-10-9-16(4,11-20)12(18)21/h6-11H2,1-5H3,(H2,18,21).
What are the key properties of tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate?
tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate has a molecular weight of 339.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate is sourced from PubChem (CID 126822426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).