2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid

C13H13N3O5 — CID 43358379

IUPAC2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CN1C(=O)CNC1=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O5/c17-9(7-16-10(18)6-14-13(16)21)15-11(12(19)20)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,21)(H,15,17)(H,19,20)
InChIKeyVNBDEBMYVOUEHB-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.52
Rot. Bonds5

About 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid

2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 43358379) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID43358379
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CN1C(=O)CNC1=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O5/c17-9(7-16-10(18)6-14-13(16)21)15-11(12(19)20)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,21)(H,15,17)(H,19,20)
InChIKeyVNBDEBMYVOUEHB-UHFFFAOYSA-N
XLogP-0.52
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
N-[cyclopropyl(phenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86914718
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357583
(3S)-3-[4-(aminomethyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]anilino]-4-[[(S)-carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 142666725
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetyl]amino]-2-phenylacetic acid
CID 119372320
2-(2,5-dioxoimidazolidin-1-yl)-N-phenylmethoxyacetamide
CID 60668288
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
CID 119367892
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid (CID 43358379) is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid is O=C(CN1C(=O)CNC1=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is VNBDEBMYVOUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-9(7-16-10(18)6-14-13(16)21)15-11(12(19)20)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,21)(H,15,17)(H,19,20).
What are the key properties of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 291.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 43358379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).