N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide

C15H25N3O3 — CID 163651262

IUPACN-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)C1CCNC1C(=O)NC(CC1CC1)C(=O)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-8(2)10-5-6-17-12(10)15(21)18-11(7-9-3-4-9)13(19)14(16)20/h8-12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyIMLIPCRSIQHPCJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.04
Rot. Bonds7

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 163651262) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID163651262
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)C1CCNC1C(=O)NC(CC1CC1)C(=O)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-8(2)10-5-6-17-12(10)15(21)18-11(7-9-3-4-9)13(19)14(16)20/h8-12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyIMLIPCRSIQHPCJ-UHFFFAOYSA-N
XLogP-0.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174354550
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 153208163
(2S,3R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143102635
(1-methylcyclopropyl) N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 163646728
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 163938613
(2S,3R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[4-methyl-2-(propan-2-ylcarbamoylamino)pentanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 163630053
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-(carbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 70332502
(2S,3R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-3,3-dimethyl-1-[methyl(prop-2-enyl)amino]-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 152904711
oxolan-3-yl (2S)-2-[[(2S)-1-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate
CID 163565284
(3R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-1-(4-hydroxyphenyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143361428
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 163655861
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-3,3-dimethyl-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 153103222

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide (CID 163651262) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide is CC(C)C1CCNC1C(=O)NC(CC1CC1)C(=O)C(N)=O.
What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is IMLIPCRSIQHPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-8(2)10-5-6-17-12(10)15(21)18-11(7-9-3-4-9)13(19)14(16)20/h8-12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,21).
What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide?
N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163651262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).