acetic acid;2-(2-methoxyethyl)guanidine

C6H15N3O3 — CID 75530796

IUPACacetic acid;2-(2-methoxyethyl)guanidine
SMILESCC(=O)O.COCCN=C(N)N
InChIInChI=1S/C4H11N3O.C2H4O2/c1-8-3-2-7-4(5)6;1-2(3)4/h2-3H2,1H3,(H4,5,6,7);1H3,(H,3,4)
InChIKeyVKLISMQZWKAOCC-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.00
Rot. Bonds3

About acetic acid;2-(2-methoxyethyl)guanidine

acetic acid;2-(2-methoxyethyl)guanidine (PubChem CID 75530796) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is acetic acid;2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Nameacetic acid;2-(2-methoxyethyl)guanidine
PubChem CID75530796
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Nameacetic acid;2-(2-methoxyethyl)guanidine
SMILESCC(=O)O.COCCN=C(N)N
InChIInChI=1S/C4H11N3O.C2H4O2/c1-8-3-2-7-4(5)6;1-2(3)4/h2-3H2,1H3,(H4,5,6,7);1H3,(H,3,4)
InChIKeyVKLISMQZWKAOCC-UHFFFAOYSA-N
XLogP-1.00
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze acetic acid;2-(2-methoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-methoxyethyl)guanidine?
The IUPAC name of acetic acid;2-(2-methoxyethyl)guanidine (CID 75530796) is acetic acid;2-(2-methoxyethyl)guanidine.
What is the SMILES notation for acetic acid;2-(2-methoxyethyl)guanidine?
The canonical SMILES for acetic acid;2-(2-methoxyethyl)guanidine is CC(=O)O.COCCN=C(N)N.
What is the InChIKey of acetic acid;2-(2-methoxyethyl)guanidine?
The InChIKey is VKLISMQZWKAOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.C2H4O2/c1-8-3-2-7-4(5)6;1-2(3)4/h2-3H2,1H3,(H4,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-methoxyethyl)guanidine?
acetic acid;2-(2-methoxyethyl)guanidine has a molecular weight of 177.20 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 75530796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).