N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide

C15H25N3O3 — CID 143358728

IUPACN-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC(CCC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-18-9-3-6-12(18)15(21)17-11(13(19)14(16)20)8-7-10-4-2-5-10/h10-12H,2-9H2,1H3,(H2,16,20)(H,17,21)
InChIKeyUHBODOJIYIUQGV-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.20
Rot. Bonds7

About N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide

N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 143358728) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
PubChem CID143358728
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NC(CCC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-18-9-3-6-12(18)15(21)17-11(13(19)14(16)20)8-7-10-4-2-5-10/h10-12H,2-9H2,1H3,(H2,16,20)(H,17,21)
InChIKeyUHBODOJIYIUQGV-UHFFFAOYSA-N
XLogP0.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide;N-tert-butyl-3-[(3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]propanamide;chloromethane;ethane;2-methylpropane
CID 143358727
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-2-[(1-methylpyrrolidine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 110837384
(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-4-ethyl-1-methylpyrrolidine-2-carboxamide
CID 143102629
(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
CID 169278462
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143354355
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143314594
N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-[2-[[1-[dimethylaminosulfanyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143363327
N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 143357934
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide (CID 143358728) is N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NC(CCC1CCC1)C(=O)C(N)=O.
What is the InChIKey of N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UHBODOJIYIUQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-18-9-3-6-12(18)15(21)17-11(13(19)14(16)20)8-7-10-4-2-5-10/h10-12H,2-9H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide?
N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143358728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).