acetic acid;1-amino-1-ethylguanidine

C5H14N4O2 — CID 174864621

IUPACacetic acid;1-amino-1-ethylguanidine
SMILESCC(=O)O.[H]/N=C(\N)N(N)CC
InChIInChI=1S/C3H10N4.C2H4O2/c1-2-7(6)3(4)5;1-2(3)4/h2,6H2,1H3,(H3,4,5);1H3,(H,3,4)
InChIKeyKVTDCHKBPUESAD-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.83
Rot. Bonds1

About acetic acid;1-amino-1-ethylguanidine

acetic acid;1-amino-1-ethylguanidine (PubChem CID 174864621) has the molecular formula C5H14N4O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is acetic acid;1-amino-1-ethylguanidine.

Molecular Properties

Compound Nameacetic acid;1-amino-1-ethylguanidine
PubChem CID174864621
Molecular FormulaC5H14N4O2
Molecular Weight162.19 g/mol
Exact Mass162.11
IUPAC Nameacetic acid;1-amino-1-ethylguanidine
SMILESCC(=O)O.[H]/N=C(\N)N(N)CC
InChIInChI=1S/C3H10N4.C2H4O2/c1-2-7(6)3(4)5;1-2(3)4/h2,6H2,1H3,(H3,4,5);1H3,(H,3,4)
InChIKeyKVTDCHKBPUESAD-UHFFFAOYSA-N
XLogP-0.83
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-amino-1-ethylguanidine?
The IUPAC name of acetic acid;1-amino-1-ethylguanidine (CID 174864621) is acetic acid;1-amino-1-ethylguanidine.
What is the SMILES notation for acetic acid;1-amino-1-ethylguanidine?
The canonical SMILES for acetic acid;1-amino-1-ethylguanidine is CC(=O)O.[H]/N=C(\N)N(N)CC.
What is the InChIKey of acetic acid;1-amino-1-ethylguanidine?
The InChIKey is KVTDCHKBPUESAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4.C2H4O2/c1-2-7(6)3(4)5;1-2(3)4/h2,6H2,1H3,(H3,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;1-amino-1-ethylguanidine?
acetic acid;1-amino-1-ethylguanidine has a molecular weight of 162.19 g/mol, XLogP of -0.83, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-amino-1-ethylguanidine is sourced from PubChem (CID 174864621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).