3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H19N3O4 — CID 101178069

IUPAC3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](COc2ccccc2)NO)C1=O
InChIInChI=1S/C14H19N3O4/c1-14(2)12(18)17(13(19)15-14)8-10(16-20)9-21-11-6-4-3-5-7-11/h3-7,10,16,20H,8-9H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyHRRDTJFEOXPVRM-JTQLQIEISA-N
MW293.32 g/mol
LogP0.74
Rot. Bonds6

About 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 101178069) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID101178069
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](COc2ccccc2)NO)C1=O
InChIInChI=1S/C14H19N3O4/c1-14(2)12(18)17(13(19)15-14)8-10(16-20)9-21-11-6-4-3-5-7-11/h3-7,10,16,20H,8-9H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyHRRDTJFEOXPVRM-JTQLQIEISA-N
XLogP0.74
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 101178069) is 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H](COc2ccccc2)NO)C1=O.
What is the InChIKey of 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HRRDTJFEOXPVRM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2)12(18)17(13(19)15-14)8-10(16-20)9-21-11-6-4-3-5-7-11/h3-7,10,16,20H,8-9H2,1-2H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 293.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 101178069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).