2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid

C9H13N3O5 — CID 43170513

IUPAC2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)NC(=O)N(CC(=O)NCC(=O)O)C1=O
InChIInChI=1S/C9H13N3O5/c1-9(2)7(16)12(8(17)11-9)4-5(13)10-3-6(14)15/h3-4H2,1-2H3,(H,10,13)(H,11,17)(H,14,15)
InChIKeyXVXUABCQUKJERG-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.48
Rot. Bonds4

About 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid

2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 43170513) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
PubChem CID43170513
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESCC1(C)NC(=O)N(CC(=O)NCC(=O)O)C1=O
InChIInChI=1S/C9H13N3O5/c1-9(2)7(16)12(8(17)11-9)4-5(13)10-3-6(14)15/h3-4H2,1-2H3,(H,10,13)(H,11,17)(H,14,15)
InChIKeyXVXUABCQUKJERG-UHFFFAOYSA-N
XLogP-1.48
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827233
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956824
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103770597
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid
CID 62932062
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid (CID 43170513) is 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is CC1(C)NC(=O)N(CC(=O)NCC(=O)O)C1=O.
What is the InChIKey of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is XVXUABCQUKJERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-9(2)7(16)12(8(17)11-9)4-5(13)10-3-6(14)15/h3-4H2,1-2H3,(H,10,13)(H,11,17)(H,14,15).
What are the key properties of 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid?
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43170513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).