methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate

C18H21N3O5 — CID 41192284

IUPACmethyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1
InChIInChI=1S/C18H21N3O5/c1-18(13-7-8-13)16(24)21(17(25)20-18)10-14(22)19-9-11-3-5-12(6-4-11)15(23)26-2/h3-6,13H,7-10H2,1-2H3,(H,19,22)(H,20,25)/t18-/m0/s1
InChIKeyGRRUOSISWYJYEB-SFHVURJKSA-N
MW359.38 g/mol
LogP0.81
Rot. Bonds6

About methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate

methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate (PubChem CID 41192284) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
PubChem CID41192284
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namemethyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1
InChIInChI=1S/C18H21N3O5/c1-18(13-7-8-13)16(24)21(17(25)20-18)10-14(22)19-9-11-3-5-12(6-4-11)15(23)26-2/h3-6,13H,7-10H2,1-2H3,(H,19,22)(H,20,25)/t18-/m0/s1
InChIKeyGRRUOSISWYJYEB-SFHVURJKSA-N
XLogP0.81
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7619230
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551831
methyl 4-[[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]benzoate
CID 7181118
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
methyl 4-[[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 4805307
methyl 4-[[[2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 47093761
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17401180
methyl 4-[[[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 40856448
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7043089
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95602649
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate (CID 41192284) is methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1.
What is the InChIKey of methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate?
The InChIKey is GRRUOSISWYJYEB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-18(13-7-8-13)16(24)21(17(25)20-18)10-14(22)19-9-11-3-5-12(6-4-11)15(23)26-2/h3-6,13H,7-10H2,1-2H3,(H,19,22)(H,20,25)/t18-/m0/s1.
What are the key properties of methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate?
methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate has a molecular weight of 359.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate is sourced from PubChem (CID 41192284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).