hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate

C11H20N4O4 — CID 66337876

IUPAChydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCCCC1(C)NC(=O)N(CCC(=O)ONN)C1=O
InChIInChI=1S/C11H20N4O4/c1-3-4-6-11(2)9(17)15(10(18)13-11)7-5-8(16)19-14-12/h14H,3-7,12H2,1-2H3,(H,13,18)
InChIKeyOWENVLMNAQZADJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.20
Rot. Bonds7

About hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate

hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 66337876) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID66337876
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Namehydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCCCC1(C)NC(=O)N(CCC(=O)ONN)C1=O
InChIInChI=1S/C11H20N4O4/c1-3-4-6-11(2)9(17)15(10(18)13-11)7-5-8(16)19-14-12/h14H,3-7,12H2,1-2H3,(H,13,18)
InChIKeyOWENVLMNAQZADJ-UHFFFAOYSA-N
XLogP-0.20
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
hydrazinyl 3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 106528282
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486359
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
CID 62022872
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487157
(4-cyanophenyl)methyl 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485771
(4-bromo-2-fluorophenyl)methyl 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487016
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486078
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487155
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486373

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 66337876) is hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate is CCCCC1(C)NC(=O)N(CCC(=O)ONN)C1=O.
What is the InChIKey of hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is OWENVLMNAQZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-3-4-6-11(2)9(17)15(10(18)13-11)7-5-8(16)19-14-12/h14H,3-7,12H2,1-2H3,(H,13,18).
What are the key properties of hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 66337876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).