2-aminoacetic acid;1-phenylimidazolidine-2,4-dione

C11H13N3O4 — CID 174973265

IUPAC2-aminoacetic acid;1-phenylimidazolidine-2,4-dione
SMILESNCC(=O)O.O=C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H8N2O2.C2H5NO2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2,(H,10,12,13);1,3H2,(H,4,5)
InChIKeyDQQXVJLNQLGSPA-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.23
Rot. Bonds2

About 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione

2-aminoacetic acid;1-phenylimidazolidine-2,4-dione (PubChem CID 174973265) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name2-aminoacetic acid;1-phenylimidazolidine-2,4-dione
PubChem CID174973265
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-aminoacetic acid;1-phenylimidazolidine-2,4-dione
SMILESNCC(=O)O.O=C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H8N2O2.C2H5NO2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2,(H,10,12,13);1,3H2,(H,4,5)
InChIKeyDQQXVJLNQLGSPA-UHFFFAOYSA-N
XLogP-0.23
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.23
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

potassium;hydride;1-phenylimidazolidine-2,4-dione
CID 173461566
1-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 700885
(2S)-2-aminobutanedioic acid;1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 56924460
1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione
CID 83822076
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
1-(4-propylphenyl)imidazolidine-2,4-dione
CID 79777361
methyl 3-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]propanoate
CID 70077589
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 71341028
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
4-imino-1-phenylimidazolidin-2-one
CID 152750114
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione?
The IUPAC name of 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione (CID 174973265) is 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione is NCC(=O)O.O=C1CN(c2ccccc2)C(=O)N1.
What is the InChIKey of 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione?
The InChIKey is DQQXVJLNQLGSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C2H5NO2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2,(H,10,12,13);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione?
2-aminoacetic acid;1-phenylimidazolidine-2,4-dione has a molecular weight of 251.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 174973265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).