methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate

C7H10N2O4 — CID 18738712

IUPACmethyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate
SMILESCOC(=O)CC1C(=O)NC(=O)N1C
InChIInChI=1S/C7H10N2O4/c1-9-4(3-5(10)13-2)6(11)8-7(9)12/h4H,3H2,1-2H3,(H,8,11,12)
InChIKeyYAWIQZDXHAJTAQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.90
Rot. Bonds2

About methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate

methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate (PubChem CID 18738712) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate
PubChem CID18738712
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate
SMILESCOC(=O)CC1C(=O)NC(=O)N1C
InChIInChI=1S/C7H10N2O4/c1-9-4(3-5(10)13-2)6(11)8-7(9)12/h4H,3H2,1-2H3,(H,8,11,12)
InChIKeyYAWIQZDXHAJTAQ-UHFFFAOYSA-N
XLogP-0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-5-Carboxymethylhydantoin
CID 440092
2,5-Dioxo-1,3-diazolidin-4-ylacetic acid
CID 95492
Methyl (2,5-dioxoimidazolidin-4-yl)acetate
CID 5296047
[(4r)-2,5-Dioxoimidazolidin-4-Yl]acetic Acid
CID 1152519
Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
L-5-carboxylatomethylhydantoin(1-)
CID 6978734
Methyl 4-(diethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate
CID 10449269
2-(2,5-Dioxoimidazolidin-4-yl)acetate
CID 17986890
Methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate
CID 134915448
2,5-Dioxo-alpha-ethyl-4-methyl-1,4-imidazolidinediacetic acid ethyl ester
CID 24839037
2-(1-Methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 548276
2-(3-Isopropyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 16394958

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate (CID 18738712) is methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate is COC(=O)CC1C(=O)NC(=O)N1C.
What is the InChIKey of methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate?
The InChIKey is YAWIQZDXHAJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-9-4(3-5(10)13-2)6(11)8-7(9)12/h4H,3H2,1-2H3,(H,8,11,12).
What are the key properties of methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate?
methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate has a molecular weight of 186.17 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate is sourced from PubChem (CID 18738712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).