2-(2-methanimidoylimidazolidin-1-yl)acetic acid

C6H11N3O2 — CID 18522944

IUPAC2-(2-methanimidoylimidazolidin-1-yl)acetic acid
SMILES[H]/N=C/C1NCCN1CC(=O)O
InChIInChI=1S/C6H11N3O2/c7-3-5-8-1-2-9(5)4-6(10)11/h3,5,7-8H,1-2,4H2,(H,10,11)/b7-3+
InChIKeyAZFJUTIDTITDSX-XVNBXDOJSA-N
MW157.17 g/mol
LogP-1.05
Rot. Bonds3

About 2-(2-methanimidoylimidazolidin-1-yl)acetic acid

2-(2-methanimidoylimidazolidin-1-yl)acetic acid (PubChem CID 18522944) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2-methanimidoylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methanimidoylimidazolidin-1-yl)acetic acid
PubChem CID18522944
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-(2-methanimidoylimidazolidin-1-yl)acetic acid
SMILES[H]/N=C/C1NCCN1CC(=O)O
InChIInChI=1S/C6H11N3O2/c7-3-5-8-1-2-9(5)4-6(10)11/h3,5,7-8H,1-2,4H2,(H,10,11)/b7-3+
InChIKeyAZFJUTIDTITDSX-XVNBXDOJSA-N
XLogP-1.05
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-methanimidoylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-methanimidoylimidazolidin-1-yl)acetic acid (CID 18522944) is 2-(2-methanimidoylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methanimidoylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-methanimidoylimidazolidin-1-yl)acetic acid is [H]/N=C/C1NCCN1CC(=O)O.
What is the InChIKey of 2-(2-methanimidoylimidazolidin-1-yl)acetic acid?
The InChIKey is AZFJUTIDTITDSX-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-3-5-8-1-2-9(5)4-6(10)11/h3,5,7-8H,1-2,4H2,(H,10,11)/b7-3+.
What are the key properties of 2-(2-methanimidoylimidazolidin-1-yl)acetic acid?
2-(2-methanimidoylimidazolidin-1-yl)acetic acid has a molecular weight of 157.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methanimidoylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 18522944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).