1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid

C7H10N2O5 — CID 57322820

IUPAC1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid
SMILESCC(C(=O)O)N1CC(=O)NC1C(=O)O
InChIInChI=1S/C7H10N2O5/c1-3(6(11)12)9-2-4(10)8-5(9)7(13)14/h3,5H,2H2,1H3,(H,8,10)(H,11,12)(H,13,14)
InChIKeyTZTXGWMLTQYFEA-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.70
Rot. Bonds3

About 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid

1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid (PubChem CID 57322820) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid
PubChem CID57322820
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid
SMILESCC(C(=O)O)N1CC(=O)NC1C(=O)O
InChIInChI=1S/C7H10N2O5/c1-3(6(11)12)9-2-4(10)8-5(9)7(13)14/h3,5H,2H2,1H3,(H,8,10)(H,11,12)(H,13,14)
InChIKeyTZTXGWMLTQYFEA-UHFFFAOYSA-N
XLogP-1.70
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid?
The IUPAC name of 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid (CID 57322820) is 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid is CC(C(=O)O)N1CC(=O)NC1C(=O)O.
What is the InChIKey of 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid?
The InChIKey is TZTXGWMLTQYFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-3(6(11)12)9-2-4(10)8-5(9)7(13)14/h3,5H,2H2,1H3,(H,8,10)(H,11,12)(H,13,14).
What are the key properties of 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid?
1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid is sourced from PubChem (CID 57322820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).