(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid

C22H38N2O6 — CID 70068754

IUPAC(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid
SMILESCCCCCCC[C@@H](C(=O)O)C(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C22H38N2O6/c1-8-9-10-11-12-13-15(17(25)26)16(18(27)30-21(2,3)4)14-24-19(28)22(5,6)23(7)20(24)29/h15-16H,8-14H2,1-7H3,(H,25,26)/t15-,16?/m1/s1
InChIKeyIZMDBOKGOIWEFV-AAFJCEBUSA-N
MW426.55 g/mol
LogP3.68
Rot. Bonds11

About (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid

(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid (PubChem CID 70068754) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid
PubChem CID70068754
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid
SMILESCCCCCCC[C@@H](C(=O)O)C(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C22H38N2O6/c1-8-9-10-11-12-13-15(17(25)26)16(18(27)30-21(2,3)4)14-24-19(28)22(5,6)23(7)20(24)29/h15-16H,8-14H2,1-7H3,(H,25,26)/t15-,16?/m1/s1
InChIKeyIZMDBOKGOIWEFV-AAFJCEBUSA-N
XLogP3.68
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-3-hydroxy-2-pentylnonanoate
CID 86645806
2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544
2,3-di(icosyl)butanedioic acid
CID 140519407
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 87496644
4-O-tert-butyl 1-O-methyl 3-ethyl-2-hexylbutanedioate
CID 175587148
tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl 2-aminooctadecanoate
CID 85318598
butyl 2-(bromomethyl)-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
CID 142682605
3-[(2-methylpropan-2-yl)oxycarbonyl]undecanoic acid
CID 15500493
tert-butyl 2-ethylnonanoate;ethane
CID 175268802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid?
The IUPAC name of (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid (CID 70068754) is (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid.
What is the SMILES notation for (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid?
The canonical SMILES for (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid is CCCCCCC[C@@H](C(=O)O)C(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid?
The InChIKey is IZMDBOKGOIWEFV-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-8-9-10-11-12-13-15(17(25)26)16(18(27)30-21(2,3)4)14-24-19(28)22(5,6)23(7)20(24)29/h15-16H,8-14H2,1-7H3,(H,25,26)/t15-,16?/m1/s1.
What are the key properties of (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid?
(2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid has a molecular weight of 426.55 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]nonanoic acid is sourced from PubChem (CID 70068754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).