N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

C21H33N3O4 — CID 143357049

IUPACN-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC1C(C)(C)C1(C)C(=O)N1CCCC1C(=O)NC(CCC1CC1)C(=O)C(N)=O
InChIInChI=1S/C21H33N3O4/c1-12-20(2,3)21(12,4)19(28)24-11-5-6-15(24)18(27)23-14(16(25)17(22)26)10-9-13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyCXXSSVJPDBXBEQ-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.39
Rot. Bonds8

About N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 143357049) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID143357049
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC NameN-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC1C(C)(C)C1(C)C(=O)N1CCCC1C(=O)NC(CCC1CC1)C(=O)C(N)=O
InChIInChI=1S/C21H33N3O4/c1-12-20(2,3)21(12,4)19(28)24-11-5-6-15(24)18(27)23-14(16(25)17(22)26)10-9-13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyCXXSSVJPDBXBEQ-UHFFFAOYSA-N
XLogP1.39
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.39
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

4-cyclobutyl-3-{[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(propan-2-ylcarbamoyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxobutanamide
CID 10029184
3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclopropyl-2-oxobutanamide
CID 16087169
3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclopropyl-2-oxobutanamide
CID 16087171
tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 16087197
tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 16087200
tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 16087202
2-methylpropyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 16087205
4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(propan-2-ylcarbamoyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxobutanamide
CID 16087206
4-cyclobutyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}amino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxobutanamide
CID 16087207
4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-{[(1-methylcyclopropyl)carbamoyl]amino}butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxobutanamide
CID 16087208
tert-butyl N-[(3S,14S,17S,18R,20S)-14-(carbamoylcarbonyl)-4,4,19,19-tetramethyl-2,16-dioxo-1,15-diazatricyclo[15.4.0.0^{18,20}]henicosan-3-yl]carbamate
CID 25190690
3-{[(1R,2S,5S)-3-[(2S)-2-{[tert-butyl(methyl)carbamoyl]amino}-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclopropyl-2-oxobutanamide
CID 16087170

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 143357049) is N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is CC1C(C)(C)C1(C)C(=O)N1CCCC1C(=O)NC(CCC1CC1)C(=O)C(N)=O.
What is the InChIKey of N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CXXSSVJPDBXBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-12-20(2,3)21(12,4)19(28)24-11-5-6-15(24)18(27)23-14(16(25)17(22)26)10-9-13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,22,26)(H,23,27).
What are the key properties of N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-5-cyclopropyl-1,2-dioxopentan-3-yl)-1-(1,2,2,3-tetramethylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143357049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).