tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate

C15H25N3O4 — CID 104932992

IUPACtert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-15(2,3)22-14(21)17-8-4-7-16-11-9-12(19)18(13(11)20)10-5-6-10/h10-11,16H,4-9H2,1-3H3,(H,17,21)
InChIKeyTZLXKXSCQYHMQT-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.78
Rot. Bonds6

About tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate

tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate (PubChem CID 104932992) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
PubChem CID104932992
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-15(2,3)22-14(21)17-8-4-7-16-11-9-12(19)18(13(11)20)10-5-6-10/h10-11,16H,4-9H2,1-3H3,(H,17,21)
InChIKeyTZLXKXSCQYHMQT-UHFFFAOYSA-N
XLogP0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
CID 104932994
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
CID 115517814
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
CID 60925606
2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 43636850
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate (CID 104932992) is tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate?
The InChIKey is TZLXKXSCQYHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-15(2,3)22-14(21)17-8-4-7-16-11-9-12(19)18(13(11)20)10-5-6-10/h10-11,16H,4-9H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate is sourced from PubChem (CID 104932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).