(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid

C19H30N2O4 — CID 90853649

IUPAC(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
SMILESC[C@]1(C2CCCCC2)C(=O)NC(=O)N1[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C19H30N2O4/c1-19(14-10-6-3-7-11-14)17(24)20-18(25)21(19)15(16(22)23)12-13-8-4-2-5-9-13/h13-15H,2-12H2,1H3,(H,22,23)(H,20,24,25)/t15-,19-/m0/s1
InChIKeyUSRDYNBPOKDBQI-KXBFYZLASA-N
MW350.46 g/mol
LogP3.30
Rot. Bonds5

About (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid

(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid (PubChem CID 90853649) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
PubChem CID90853649
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
SMILESC[C@]1(C2CCCCC2)C(=O)NC(=O)N1[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C19H30N2O4/c1-19(14-10-6-3-7-11-14)17(24)20-18(25)21(19)15(16(22)23)12-13-8-4-2-5-9-13/h13-15H,2-12H2,1H3,(H,22,23)(H,20,24,25)/t15-,19-/m0/s1
InChIKeyUSRDYNBPOKDBQI-KXBFYZLASA-N
XLogP3.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.30
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

(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid;(2R)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 160791628
3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
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(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692821
3-cyclopentyl-2-(6-methylsulfanyl-2,3-dioxoindol-1-yl)propanoic acid
CID 67774437
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 66894847
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
3-cyclohexyl-2-[3-(3-methylphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 67504273
3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
CID 66891968
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
2-cycloheptylbutanoic acid
CID 79007061
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid (CID 90853649) is (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid is C[C@]1(C2CCCCC2)C(=O)NC(=O)N1[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid?
The InChIKey is USRDYNBPOKDBQI-KXBFYZLASA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(14-10-6-3-7-11-14)17(24)20-18(25)21(19)15(16(22)23)12-13-8-4-2-5-9-13/h13-15H,2-12H2,1H3,(H,22,23)(H,20,24,25)/t15-,19-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid?
(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid has a molecular weight of 350.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 90853649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).