3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid

C24H27N5O5 — CID 70246788

IUPAC3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid
SMILESCCN1C(=O)N(CC(=O)NC(CC(=O)O)c2ccccc2)C(=O)C1(C)c1ccc(C=NN)cc1
InChIInChI=1S/C24H27N5O5/c1-3-29-23(34)28(22(33)24(29,2)18-11-9-16(10-12-18)14-26-25)15-20(30)27-19(13-21(31)32)17-7-5-4-6-8-17/h4-12,14,19H,3,13,15,25H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyABIXXWHLBYTDRJ-UHFFFAOYSA-N
MW465.51 g/mol
LogP1.81
Rot. Bonds9

About 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid

3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 70246788) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid
PubChem CID70246788
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid
SMILESCCN1C(=O)N(CC(=O)NC(CC(=O)O)c2ccccc2)C(=O)C1(C)c1ccc(C=NN)cc1
InChIInChI=1S/C24H27N5O5/c1-3-29-23(34)28(22(33)24(29,2)18-11-9-16(10-12-18)14-26-25)15-20(30)27-19(13-21(31)32)17-7-5-4-6-8-17/h4-12,14,19H,3,13,15,25H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyABIXXWHLBYTDRJ-UHFFFAOYSA-N
XLogP1.81
TPSA145.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.81
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[2-[4-(4-carbamimidoylphenyl)-3-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 10791332
3-[[2-[4-[4-[(E)-hydrazinylidenemethyl]phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoic acid
CID 21257394
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
3-[[2-(3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 22096523
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 23510007
(3S)-3-[[2-[3-benzyl-4-[4-[(benzylcarbamoylamino)methyl]phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-[[(S)-carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 59894436
3-[[2-[(4-methanehydrazonoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]-3-phenylpropanoic acid
CID 67877386
2-[(4S)-4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]acetic acid;hydrochloride
CID 173285467
3-[[2-[4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 67601161
benzyl 2-[(4S)-3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 86588626
propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 46516380
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid (CID 70246788) is 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid is CCN1C(=O)N(CC(=O)NC(CC(=O)O)c2ccccc2)C(=O)C1(C)c1ccc(C=NN)cc1.
What is the InChIKey of 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ABIXXWHLBYTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-3-29-23(34)28(22(33)24(29,2)18-11-9-16(10-12-18)14-26-25)15-20(30)27-19(13-21(31)32)17-7-5-4-6-8-17/h4-12,14,19H,3,13,15,25H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid?
3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 465.51 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-ethyl-4-(4-methanehydrazonoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 70246788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).