2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid

C23H26N2O4 — CID 4995514

IUPAC2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
SMILESCC(C)CC1C(=O)N(C(Cc2ccccc2)C(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16(2)13-19-21(26)25(20(22(27)28)14-17-9-5-3-6-10-17)23(29)24(19)15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,27,28)
InChIKeyLWUCUMIDTUSEIL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.56
Rot. Bonds8

About 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid

2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid (PubChem CID 4995514) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
PubChem CID4995514
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
SMILESCC(C)CC1C(=O)N(C(Cc2ccccc2)C(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16(2)13-19-21(26)25(20(22(27)28)14-17-9-5-3-6-10-17)23(29)24(19)15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,27,28)
InChIKeyLWUCUMIDTUSEIL-UHFFFAOYSA-N
XLogP3.56
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 3699759
2-[4-butan-2-yl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
CID 4995468
methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
CID 142133689
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
(2R)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-3-phenylpropanoic acid
CID 40734881
2-[3-[(4-cyanophenyl)methyl]-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-4-methylpentanoic acid
CID 3717181
2-[(4S)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107928
(2S)-3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid
CID 1179739
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid (CID 4995514) is 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid is CC(C)CC1C(=O)N(C(Cc2ccccc2)C(=O)O)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid?
The InChIKey is LWUCUMIDTUSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16(2)13-19-21(26)25(20(22(27)28)14-17-9-5-3-6-10-17)23(29)24(19)15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,27,28).
What are the key properties of 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid?
2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 4995514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).