(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid

C16H19N3O5 — CID 119367892

IUPAC(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
SMILESCN1CC(=O)N(CCCC(=O)N[C@@H](C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C16H19N3O5/c1-18-10-13(21)19(16(18)24)9-5-8-12(20)17-14(15(22)23)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10H2,1H3,(H,17,20)(H,22,23)/t14-/m1/s1
InChIKeyQPGUOKPUVAQWSG-CQSZACIVSA-N
MW333.34 g/mol
LogP0.60
Rot. Bonds7

About (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid

(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid (PubChem CID 119367892) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
PubChem CID119367892
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
SMILESCN1CC(=O)N(CCCC(=O)N[C@@H](C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C16H19N3O5/c1-18-10-13(21)19(16(18)24)9-5-8-12(20)17-14(15(22)23)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10H2,1H3,(H,17,20)(H,22,23)/t14-/m1/s1
InChIKeyQPGUOKPUVAQWSG-CQSZACIVSA-N
XLogP0.60
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78814409
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid (CID 119367892) is (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid is CN1CC(=O)N(CCCC(=O)N[C@@H](C(=O)O)c2ccccc2)C1=O.
What is the InChIKey of (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid?
The InChIKey is QPGUOKPUVAQWSG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-18-10-13(21)19(16(18)24)9-5-8-12(20)17-14(15(22)23)11-6-3-2-4-7-11/h2-4,6-7,14H,5,8-10H2,1H3,(H,17,20)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid?
(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid has a molecular weight of 333.34 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119367892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).