2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid

C9H12N2O6 — CID 134107553

IUPAC2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCCOC(=O)CN1C(=O)N[C@@H](CC(=O)O)C1=O
InChIInChI=1S/C9H12N2O6/c1-2-17-7(14)4-11-8(15)5(3-6(12)13)10-9(11)16/h5H,2-4H2,1H3,(H,10,16)(H,12,13)/t5-/m0/s1
InChIKeyVFXCODCVFSNALI-YFKPBYRVSA-N
MW244.20 g/mol
LogP-1.06
Rot. Bonds5

About 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid

2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 134107553) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID134107553
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCCOC(=O)CN1C(=O)N[C@@H](CC(=O)O)C1=O
InChIInChI=1S/C9H12N2O6/c1-2-17-7(14)4-11-8(15)5(3-6(12)13)10-9(11)16/h5H,2-4H2,1H3,(H,10,16)(H,12,13)/t5-/m0/s1
InChIKeyVFXCODCVFSNALI-YFKPBYRVSA-N
XLogP-1.06
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 137320526
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 59953083
ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11712165
ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357442
2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676635
2-[(4R)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676639
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 134107553) is 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is CCOC(=O)CN1C(=O)N[C@@H](CC(=O)O)C1=O.
What is the InChIKey of 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is VFXCODCVFSNALI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-2-17-7(14)4-11-8(15)5(3-6(12)13)10-9(11)16/h5H,2-4H2,1H3,(H,10,16)(H,12,13)/t5-/m0/s1.
What are the key properties of 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 244.20 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 134107553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).