2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione

C18H18N4O5 — CID 67842876

IUPAC2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione
SMILESNC(=O)NC(C(=O)O)c1ccccc1.O=C1NC(=O)C(c2ccccc2)N1
InChIInChI=1S/C9H10N2O3.C9H8N2O2/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6;12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14);1-5,7H,(H2,10,11,12,13)
InChIKeyUPUPUZSOEVKQKT-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.05
Rot. Bonds4

About 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione

2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione (PubChem CID 67842876) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione
PubChem CID67842876
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione
SMILESNC(=O)NC(C(=O)O)c1ccccc1.O=C1NC(=O)C(c2ccccc2)N1
InChIInChI=1S/C9H10N2O3.C9H8N2O2/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6;12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14);1-5,7H,(H2,10,11,12,13)
InChIKeyUPUPUZSOEVKQKT-UHFFFAOYSA-N
XLogP1.05
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione?
The IUPAC name of 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione (CID 67842876) is 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione is NC(=O)NC(C(=O)O)c1ccccc1.O=C1NC(=O)C(c2ccccc2)N1.
What is the InChIKey of 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione?
The InChIKey is UPUPUZSOEVKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.C9H8N2O2/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6;12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14);1-5,7H,(H2,10,11,12,13).
What are the key properties of 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione?
2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione has a molecular weight of 370.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 67842876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).