[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate

C20H25N3O6 — CID 9061805

IUPAC[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C20H25N3O6/c1-14(24)16(11-15-7-4-3-5-8-15)21-17(25)13-29-19(27)9-6-10-23-18(26)12-22(2)20(23)28/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyDDCFTWUENDFBPF-INIZCTEOSA-N
MW403.44 g/mol
LogP0.52
Rot. Bonds10

About [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 9061805) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID9061805
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C20H25N3O6/c1-14(24)16(11-15-7-4-3-5-8-15)21-17(25)13-29-19(27)9-6-10-23-18(26)12-22(2)20(23)28/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyDDCFTWUENDFBPF-INIZCTEOSA-N
XLogP0.52
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 40966943
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649350
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213084
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]hexanamide
CID 170735798
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42982229
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061901
(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
CID 119367892
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550220
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676096

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate (CID 9061805) is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate is CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is DDCFTWUENDFBPF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-14(24)16(11-15-7-4-3-5-8-15)21-17(25)13-29-19(27)9-6-10-23-18(26)12-22(2)20(23)28/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 403.44 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 9061805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).