2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid

C6H9N3O3 — CID 136593680

IUPAC2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid
SMILESCN1CC(=O)N/C1=N/CC(=O)O
InChIInChI=1S/C6H9N3O3/c1-9-3-4(10)8-6(9)7-2-5(11)12/h2-3H2,1H3,(H,11,12)(H,7,8,10)
InChIKeyXCRJVPRWYBRGHB-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.51
Rot. Bonds2

About 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid

2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid (PubChem CID 136593680) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid
PubChem CID136593680
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid
SMILESCN1CC(=O)N/C1=N/CC(=O)O
InChIInChI=1S/C6H9N3O3/c1-9-3-4(10)8-6(9)7-2-5(11)12/h2-3H2,1H3,(H,11,12)(H,7,8,10)
InChIKeyXCRJVPRWYBRGHB-UHFFFAOYSA-N
XLogP-1.51
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid (CID 136593680) is 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid is CN1CC(=O)N/C1=N/CC(=O)O.
What is the InChIKey of 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid?
The InChIKey is XCRJVPRWYBRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9-3-4(10)8-6(9)7-2-5(11)12/h2-3H2,1H3,(H,11,12)(H,7,8,10).
What are the key properties of 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid?
2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]acetic acid is sourced from PubChem (CID 136593680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).