5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

C10H16N2O4 — CID 28971868

IUPAC5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCC1(C)NC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11-10)6-4-3-5-7(13)14/h3-6H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyZSVUJSJOCZLXDC-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.57
Rot. Bonds5

About 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (PubChem CID 28971868) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
PubChem CID28971868
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCC1(C)NC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11-10)6-4-3-5-7(13)14/h3-6H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyZSVUJSJOCZLXDC-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid
CID 65289762
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-propylamino]acetic acid
CID 61007896
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
CID 107773127
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (CID 28971868) is 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is CC1(C)NC(=O)N(CCCCC(=O)O)C1=O.
What is the InChIKey of 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is ZSVUJSJOCZLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11-10)6-4-3-5-7(13)14/h3-6H2,1-2H3,(H,11,16)(H,13,14).
What are the key properties of 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 28971868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).