3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid

C20H24N4O4 — CID 143823559

IUPAC3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESCc1ccc(-c2cnc([C@H](C(C)C)N3C(=O)N[C@H](CCC(=O)O)C3=O)[nH]2)cc1
InChIInChI=1S/C20H24N4O4/c1-11(2)17(24-19(27)14(23-20(24)28)8-9-16(25)26)18-21-10-15(22-18)13-6-4-12(3)5-7-13/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,21,22)(H,23,28)(H,25,26)/t14-,17+/m1/s1
InChIKeyKKKYVHYSXZPNJH-PBHICJAKSA-N
MW384.44 g/mol
LogP2.87
Rot. Bonds7

About 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid

3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid (PubChem CID 143823559) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
PubChem CID143823559
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESCc1ccc(-c2cnc([C@H](C(C)C)N3C(=O)N[C@H](CCC(=O)O)C3=O)[nH]2)cc1
InChIInChI=1S/C20H24N4O4/c1-11(2)17(24-19(27)14(23-20(24)28)8-9-16(25)26)18-21-10-15(22-18)13-6-4-12(3)5-7-13/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,21,22)(H,23,28)(H,25,26)/t14-,17+/m1/s1
InChIKeyKKKYVHYSXZPNJH-PBHICJAKSA-N
XLogP2.87
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid (CID 143823559) is 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid is Cc1ccc(-c2cnc([C@H](C(C)C)N3C(=O)N[C@H](CCC(=O)O)C3=O)[nH]2)cc1.
What is the InChIKey of 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The InChIKey is KKKYVHYSXZPNJH-PBHICJAKSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-11(2)17(24-19(27)14(23-20(24)28)8-9-16(25)26)18-21-10-15(22-18)13-6-4-12(3)5-7-13/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,21,22)(H,23,28)(H,25,26)/t14-,17+/m1/s1.
What are the key properties of 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid has a molecular weight of 384.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 143823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).