2-(2-oxoimidazolidin-1-yl)butanedioic acid

C7H10N2O5 — CID 67787496

IUPAC2-(2-oxoimidazolidin-1-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)N1CCNC1=O
InChIInChI=1S/C7H10N2O5/c10-5(11)3-4(6(12)13)9-2-1-8-7(9)14/h4H,1-3H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyCCEDQMJANBPIAN-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.06
Rot. Bonds4

About 2-(2-oxoimidazolidin-1-yl)butanedioic acid

2-(2-oxoimidazolidin-1-yl)butanedioic acid (PubChem CID 67787496) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)butanedioic acid.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)butanedioic acid
PubChem CID67787496
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-(2-oxoimidazolidin-1-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)N1CCNC1=O
InChIInChI=1S/C7H10N2O5/c10-5(11)3-4(6(12)13)9-2-1-8-7(9)14/h4H,1-3H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyCCEDQMJANBPIAN-UHFFFAOYSA-N
XLogP-1.06
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)butanedioic acid?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)butanedioic acid (CID 67787496) is 2-(2-oxoimidazolidin-1-yl)butanedioic acid.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)butanedioic acid?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)butanedioic acid is O=C(O)CC(C(=O)O)N1CCNC1=O.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)butanedioic acid?
The InChIKey is CCEDQMJANBPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c10-5(11)3-4(6(12)13)9-2-1-8-7(9)14/h4H,1-3H2,(H,8,14)(H,10,11)(H,12,13).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)butanedioic acid?
2-(2-oxoimidazolidin-1-yl)butanedioic acid has a molecular weight of 202.17 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)butanedioic acid is sourced from PubChem (CID 67787496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).