(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione

C6H10N2O3 — CID 59157656

IUPAC(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione
SMILESC[C@@H](O)[C@@H]1NC(=O)N(C)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m1/s1
InChIKeyHCRZFMPXFFTNJW-DMTCNVIQSA-N
MW158.16 g/mol
LogP-1.08
Rot. Bonds1

About (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione

(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione (PubChem CID 59157656) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione
PubChem CID59157656
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione
SMILESC[C@@H](O)[C@@H]1NC(=O)N(C)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m1/s1
InChIKeyHCRZFMPXFFTNJW-DMTCNVIQSA-N
XLogP-1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Hydroxymethyl)imidazolidine-2,4-dione
CID 350576
3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-one
CID 118719173
[3,4-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea
CID 123268099
5-(1-Hydroxyethyl)imidazolidine-2,4-dione
CID 19985294
4-Imidazolidinone, 5-(1-hydroxyethyl)-2-thioxo-
CID 5372652
(5S)-5-(1-hydroxyethyl)imidazolidine-2,4-dione
CID 110193001
(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
CID 144600499
3-(2-Fluoroethyl)-5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
CID 165508083
(5R)-3-(2-fluoroethyl)-5-[(1S)-1-hydroxyethyl]-2-sulfanylideneimidazolidin-4-one
CID 165508090
(5S)-3-(2-fluoroethyl)-5-[(1S)-1-hydroxyethyl]-2-sulfanylideneimidazolidin-4-one
CID 165524940
1-[3,4-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-(hydroxymethyl)urea
CID 11482027
1-[1,4-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-(hydroxymethyl)urea
CID 11736755

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione (CID 59157656) is (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione is C[C@@H](O)[C@@H]1NC(=O)N(C)C1=O.
What is the InChIKey of (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is HCRZFMPXFFTNJW-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m1/s1.
What are the key properties of (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione?
(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 158.16 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59157656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).