acetic acid;amino acetate;ethene

C8H17NO6 — CID 174964224

IUPACacetic acid;amino acetate;ethene
SMILESC=C.CC(=O)O.CC(=O)O.CC(=O)ON
InChIInChI=1S/C2H5NO2.2C2H4O2.C2H4/c1-2(4)5-3;2*1-2(3)4;1-2/h3H2,1H3;2*1H3,(H,3,4);1-2H2
InChIKeyGBPKSTMDWIOTIZ-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.41
Rot. Bonds

About acetic acid;amino acetate;ethene

acetic acid;amino acetate;ethene (PubChem CID 174964224) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is acetic acid;amino acetate;ethene.

Molecular Properties

Compound Nameacetic acid;amino acetate;ethene
PubChem CID174964224
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Nameacetic acid;amino acetate;ethene
SMILESC=C.CC(=O)O.CC(=O)O.CC(=O)ON
InChIInChI=1S/C2H5NO2.2C2H4O2.C2H4/c1-2(4)5-3;2*1-2(3)4;1-2/h3H2,1H3;2*1H3,(H,3,4);1-2H2
InChIKeyGBPKSTMDWIOTIZ-UHFFFAOYSA-N
XLogP0.41
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;amino acetate;ethene with MolForge

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

Launch Full Analysis

Related Compounds

acetic acid;amino acetate;benzene
CID 69130765
amino acetate;methanol
CID 174604339
magnesium;amino acetate;hydride
CID 173289469
acetic acid;ethene
CID 172797220
sodium;amino acetate;hydride;hydrochloride
CID 174988291
amino acetate;butane
CID 90344227
Tin(II)acetate
CID 87063833
acetic acid;ruthenium
CID 175502908
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
acetic acid;benzene;ethene
CID 70594790
acetic acid;azane;ethene;iron
CID 173116403
CID 158105337
CID 158105337

Frequently Asked Questions

What is the IUPAC name of acetic acid;amino acetate;ethene?
The IUPAC name of acetic acid;amino acetate;ethene (CID 174964224) is acetic acid;amino acetate;ethene.
What is the SMILES notation for acetic acid;amino acetate;ethene?
The canonical SMILES for acetic acid;amino acetate;ethene is C=C.CC(=O)O.CC(=O)O.CC(=O)ON.
What is the InChIKey of acetic acid;amino acetate;ethene?
The InChIKey is GBPKSTMDWIOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.2C2H4O2.C2H4/c1-2(4)5-3;2*1-2(3)4;1-2/h3H2,1H3;2*1H3,(H,3,4);1-2H2.
What are the key properties of acetic acid;amino acetate;ethene?
acetic acid;amino acetate;ethene has a molecular weight of 223.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;amino acetate;ethene is sourced from PubChem (CID 174964224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).