2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

C15H17N3O5 — CID 21453173

IUPAC2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-2-11(19)17-8-9-18(15(17)23)14(22)16-12(13(20)21)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,22)(H,20,21)
InChIKeyWZMZHEOBCFZSEI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.20
Rot. Bonds4

About 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid

2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 21453173) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID21453173
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
SMILESCCC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-2-11(19)17-8-9-18(15(17)23)14(22)16-12(13(20)21)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,22)(H,20,21)
InChIKeyWZMZHEOBCFZSEI-UHFFFAOYSA-N
XLogP1.20
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
2-[(3-acetyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 21453167
2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453212
2-[(4-hexyl-2-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70620389
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-[[4-(benzylideneamino)-2,3-dioxopiperazine-1-carbonyl]amino]-2-phenylacetic acid
CID 54235959
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl chloride
CID 13212084
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
CID 19833690
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
CID 21444695
2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid (CID 21453173) is 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is CCC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1=O.
What is the InChIKey of 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is WZMZHEOBCFZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-2-11(19)17-8-9-18(15(17)23)14(22)16-12(13(20)21)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid?
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 319.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 21453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).