(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

C22H32N4O8 — CID 160791628

IUPAC(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
SMILESCC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O.CC1(C)NC(=O)N([C@H](CC2CC2)C(=O)O)C1=O
InChIInChI=1S/2C11H16N2O4/c2*1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h2*6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t2*7-/m10/s1
InChIKeySBWYOLJPEGXPET-UNLCMTKJSA-N
MW480.52 g/mol
LogP1.14
Rot. Bonds8

About (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

(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 (PubChem CID 160791628) has the molecular formula C22H32N4O8 and a molecular weight of 480.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160791628
Molecular FormulaC22H32N4O8
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name(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
SMILESCC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O.CC1(C)NC(=O)N([C@H](CC2CC2)C(=O)O)C1=O
InChIInChI=1S/2C11H16N2O4/c2*1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h2*6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t2*7-/m10/s1
InChIKeySBWYOLJPEGXPET-UNLCMTKJSA-N
XLogP1.14
TPSA173.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 82028835
(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
CID 90853649
(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
CID 162479525
3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 173212284
5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
CID 69251235
2-[cyclopropyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60827223
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
(2S)-2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-cyclopropylpropanoic acid
CID 168704554
(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O.CC1(C)NC(=O)N([C@H](CC2CC2)C(=O)O)C1=O.
What is the InChIKey of (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?
The InChIKey is SBWYOLJPEGXPET-UNLCMTKJSA-N. The full InChI is InChI=1S/2C11H16N2O4/c2*1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h2*6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t2*7-/m10/s1.
What are the key properties of (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?
(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 has a molecular weight of 480.52 g/mol, XLogP of 1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160791628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).