2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid

C11H18N2O4 — CID 54221869

IUPAC2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-5-7(8(14)15)6-13-9(16)11(2,3)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyQDDUOCQSOPOZQM-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.77
Rot. Bonds4

About 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid

2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid (PubChem CID 54221869) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
PubChem CID54221869
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-5-7(8(14)15)6-13-9(16)11(2,3)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyQDDUOCQSOPOZQM-UHFFFAOYSA-N
XLogP0.77
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-chlorophenyl)phenyl]sulfanylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 23505494
(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
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
2-[[3-(2-carboxybutyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]butanoic acid
CID 69227184
3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 20725533
ethane;2-ethylbutanoic acid
CID 142229949
CID 87086045
CID 87086045
CID 123134376
CID 123134376
2-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]butanoic acid
CID 79885968
(2R)-4-oxo-4-(6,7,8,9-tetrahydrodibenzothiophen-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
CID 70106030
(2S)-4-oxo-4-(6,7,8,9-tetrahydrodibenzothiophen-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
CID 70089603

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid (CID 54221869) is 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid is CCC(CN1C(=O)N(C)C(C)(C)C1=O)C(=O)O.
What is the InChIKey of 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The InChIKey is QDDUOCQSOPOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-7(8(14)15)6-13-9(16)11(2,3)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 54221869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).