2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

C15H17N3O5 — CID 21453201

IUPAC2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC(=O)N1CC(C)N(C(=O)NC(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-9-8-17(10(2)19)15(23)18(9)14(22)16-12(13(20)21)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyZLFDTPACJOUNHL-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.19
Rot. Bonds3

About 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 21453201) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID21453201
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCC(=O)N1CC(C)N(C(=O)NC(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-9-8-17(10(2)19)15(23)18(9)14(22)16-12(13(20)21)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyZLFDTPACJOUNHL-UHFFFAOYSA-N
XLogP1.19
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453081
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061
(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104899164
(2R)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104876908
2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 21453167
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid
CID 21444804
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
CID 21444695
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (CID 21453201) is 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is CC(=O)N1CC(C)N(C(=O)NC(C(=O)O)c2ccccc2)C1=O.
What is the InChIKey of 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is ZLFDTPACJOUNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-8-17(10(2)19)15(23)18(9)14(22)16-12(13(20)21)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 319.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 21453201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).