5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione

C8H14N2O3 — CID 131041674

IUPAC5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(C[C@H](C)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-3-6-7(12)10(4-5(2)11)8(13)9-6/h5-6,11H,3-4H2,1-2H3,(H,9,13)/t5-,6?/m0/s1
InChIKeyONDFQWLIUSVFMY-ZBHICJROSA-N
MW186.21 g/mol
LogP-0.30
Rot. Bonds3

About 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione

5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione (PubChem CID 131041674) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
PubChem CID131041674
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(C[C@H](C)O)C1=O
InChIInChI=1S/C8H14N2O3/c1-3-6-7(12)10(4-5(2)11)8(13)9-6/h5-6,11H,3-4H2,1-2H3,(H,9,13)/t5-,6?/m0/s1
InChIKeyONDFQWLIUSVFMY-ZBHICJROSA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione (CID 131041674) is 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione is CCC1NC(=O)N(C[C@H](C)O)C1=O.
What is the InChIKey of 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione?
The InChIKey is ONDFQWLIUSVFMY-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-6-7(12)10(4-5(2)11)8(13)9-6/h5-6,11H,3-4H2,1-2H3,(H,9,13)/t5-,6?/m0/s1.
What are the key properties of 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione?
5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 131041674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).