acetic acid;amino acetate;benzene

C14H24N2O8 — CID 69130765

IUPACacetic acid;amino acetate;benzene
SMILESCC(=O)O.CC(=O)O.CC(=O)ON.CC(=O)ON.c1ccccc1
InChIInChI=1S/C6H6.2C2H5NO2.2C2H4O2/c1-2-4-6-5-3-1;2*1-2(4)5-3;2*1-2(3)4/h1-6H;2*3H2,1H3;2*1H3,(H,3,4)
InChIKeyRFAXILJHAMYZIK-UHFFFAOYSA-N
MW348.35 g/mol
LogP0.71
Rot. Bonds

About acetic acid;amino acetate;benzene

acetic acid;amino acetate;benzene (PubChem CID 69130765) has the molecular formula C14H24N2O8 and a molecular weight of 348.35 g/mol. Its IUPAC name is acetic acid;amino acetate;benzene.

Molecular Properties

Compound Nameacetic acid;amino acetate;benzene
PubChem CID69130765
Molecular FormulaC14H24N2O8
Molecular Weight348.35 g/mol
Exact Mass348.15
IUPAC Nameacetic acid;amino acetate;benzene
SMILESCC(=O)O.CC(=O)O.CC(=O)ON.CC(=O)ON.c1ccccc1
InChIInChI=1S/C6H6.2C2H5NO2.2C2H4O2/c1-2-4-6-5-3-1;2*1-2(4)5-3;2*1-2(3)4/h1-6H;2*3H2,1H3;2*1H3,(H,3,4)
InChIKeyRFAXILJHAMYZIK-UHFFFAOYSA-N
XLogP0.71
TPSA179.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;amino acetate;ethene
CID 174964224
amino acetate;methanol
CID 174604339
magnesium;amino acetate;hydride
CID 173289469
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
benzene;methyl acetate;hydroiodide
CID 174288307
CID 158105337
CID 158105337
acetic acid
CID 158444727

Frequently Asked Questions

What is the IUPAC name of acetic acid;amino acetate;benzene?
The IUPAC name of acetic acid;amino acetate;benzene (CID 69130765) is acetic acid;amino acetate;benzene.
What is the SMILES notation for acetic acid;amino acetate;benzene?
The canonical SMILES for acetic acid;amino acetate;benzene is CC(=O)O.CC(=O)O.CC(=O)ON.CC(=O)ON.c1ccccc1.
What is the InChIKey of acetic acid;amino acetate;benzene?
The InChIKey is RFAXILJHAMYZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C2H5NO2.2C2H4O2/c1-2-4-6-5-3-1;2*1-2(4)5-3;2*1-2(3)4/h1-6H;2*3H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;amino acetate;benzene?
acetic acid;amino acetate;benzene has a molecular weight of 348.35 g/mol, XLogP of 0.71, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;amino acetate;benzene is sourced from PubChem (CID 69130765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).