(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione

C17H22N2O4 — CID 31569633

IUPAC(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-17(13-7-8-13)15(21)19(16(22)18-17)9-14(20)11-23-10-12-5-3-2-4-6-12/h2-6,13-14,20H,7-11H2,1H3,(H,18,22)/t14-,17+/m1/s1
InChIKeyKISDQYIUMYINFH-PBHICJAKSA-N
MW318.37 g/mol
LogP1.28
Rot. Bonds7

About (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione

(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 31569633) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID31569633
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-17(13-7-8-13)15(21)19(16(22)18-17)9-14(20)11-23-10-12-5-3-2-4-6-12/h2-6,13-14,20H,7-11H2,1H3,(H,18,22)/t14-,17+/m1/s1
InChIKeyKISDQYIUMYINFH-PBHICJAKSA-N
XLogP1.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1S)-1-[(4-hydroxyoxolan-3-yl)carbamoyl]-3-methylbutyl]carbamate
CID 10807774
Benzyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 16278195
1-Phenylethyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16314823
3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26482243
2-(2-Hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 51283472
benzyl (2S,4R)-4-hydroxy-2-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 72022907
(5S)-5-ethyl-3-[3-(1-phenylethoxy)propyl]imidazolidine-2,4-dione
CID 86782963
3-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95391644
(5R)-3-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8308492
(5S)-3-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8308495
(5R)-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8308499
(5S)-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8308502

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione (CID 31569633) is (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O.
What is the InChIKey of (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KISDQYIUMYINFH-PBHICJAKSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(13-7-8-13)15(21)19(16(22)18-17)9-14(20)11-23-10-12-5-3-2-4-6-12/h2-6,13-14,20H,7-11H2,1H3,(H,18,22)/t14-,17+/m1/s1.
What are the key properties of (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 31569633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).