2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid

C14H15N3O6 — CID 21453167

IUPAC2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15N3O6/c1-8(18)16-6-7-17(14(16)23)13(22)15-11(12(20)21)9-2-4-10(19)5-3-9/h2-5,11,19H,6-7H2,1H3,(H,15,22)(H,20,21)
InChIKeyQTXQXGYWYIUEIF-UHFFFAOYSA-N
MW321.29 g/mol
LogP0.51
Rot. Bonds3

About 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid

2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 21453167) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID21453167
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15N3O6/c1-8(18)16-6-7-17(14(16)23)13(22)15-11(12(20)21)9-2-4-10(19)5-3-9/h2-5,11,19H,6-7H2,1H3,(H,15,22)(H,20,21)
InChIKeyQTXQXGYWYIUEIF-UHFFFAOYSA-N
XLogP0.51
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetate
CID 7021031
2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid
CID 21444804
2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453201
sodium 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(2,6-dichlorophenyl)acetate
CID 23667327
2-[(3-formyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid
CID 21453109
2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453212
CID 131883402
CID 131883402
2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid
CID 119197904
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
2-[(4-hexyl-2-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70620389

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid (CID 21453167) is 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid is CC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C1=O.
What is the InChIKey of 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is QTXQXGYWYIUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6/c1-8(18)16-6-7-17(14(16)23)13(22)15-11(12(20)21)9-2-4-10(19)5-3-9/h2-5,11,19H,6-7H2,1H3,(H,15,22)(H,20,21).
What are the key properties of 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid?
2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 321.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 21453167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).