(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide

C16H27N3O3 — CID 143102629

IUPAC(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide
SMILESCC[C@@H]1CC(C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C)C1
InChIInChI=1S/C16H27N3O3/c1-3-10-8-13(19(2)9-10)16(22)18-12(14(20)15(17)21)7-11-5-4-6-11/h10-13H,3-9H2,1-2H3,(H2,17,21)(H,18,22)/t10-,12?,13?/m1/s1
InChIKeyMXIYNIJOSGITIJ-QFWMXSHPSA-N
MW309.41 g/mol
LogP0.45
Rot. Bonds7

About (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide

(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide (PubChem CID 143102629) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide
PubChem CID143102629
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide
SMILESCC[C@@H]1CC(C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C)C1
InChIInChI=1S/C16H27N3O3/c1-3-10-8-13(19(2)9-10)16(22)18-12(14(20)15(17)21)7-11-5-4-6-11/h10-13H,3-9H2,1-2H3,(H2,17,21)(H,18,22)/t10-,12?,13?/m1/s1
InChIKeyMXIYNIJOSGITIJ-QFWMXSHPSA-N
XLogP0.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
CID 143358728
4-cyclobutyl-2-oxo-3-(phosphanylamino)butanamide
CID 59655546
(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane
CID 143358322
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidine-2-carboxamide
CID 143581195
(3aS)-2-(2-aminoacetyl)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;methanol;2-methylpropane
CID 143363425
N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-1,4-dimethylpyrrolidine-2-carboxamide
CID 143362697
(2S,4R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide
CID 143363233
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-(3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 123706595
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143314594
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143354355
(2S,4R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-3-cyclohexyl-2-[[1-(thiophen-3-ylmethyl)cyclohexyl]carbamoylamino]propanoyl]-4-ethylpyrrolidine-2-carboxamide
CID 143359325
(2S,4S)-N-[(2R)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-4-propan-2-ylpyrrolidine-2-carboxamide
CID 130438377

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide (CID 143102629) is (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide is CC[C@@H]1CC(C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C)C1.
What is the InChIKey of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide?
The InChIKey is MXIYNIJOSGITIJ-QFWMXSHPSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-10-8-13(19(2)9-10)16(22)18-12(14(20)15(17)21)7-11-5-4-6-11/h10-13H,3-9H2,1-2H3,(H2,17,21)(H,18,22)/t10-,12?,13?/m1/s1.
What are the key properties of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide?
(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143102629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).