amino acetate;methanol

C3H9NO3 — CID 174604339

IUPACamino acetate;methanol
SMILESCC(=O)ON.CO
InChIInChI=1S/C2H5NO2.CH4O/c1-2(4)5-3;1-2/h3H2,1H3;2H,1H3
InChIKeyXYKYUMOIKNAHGG-UHFFFAOYSA-N
MW107.11 g/mol
LogP-0.97
Rot. Bonds

About amino acetate;methanol

amino acetate;methanol (PubChem CID 174604339) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is amino acetate;methanol.

Molecular Properties

Compound Nameamino acetate;methanol
PubChem CID174604339
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Nameamino acetate;methanol
SMILESCC(=O)ON.CO
InChIInChI=1S/C2H5NO2.CH4O/c1-2(4)5-3;1-2/h3H2,1H3;2H,1H3
InChIKeyXYKYUMOIKNAHGG-UHFFFAOYSA-N
XLogP-0.97
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173289469
sodium;amino acetate;hydride;hydrochloride
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CID 90344227
acetic acid;amino acetate;ethene
CID 174964224
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
CID 158105337
CID 158105337
CID 158128480
CID 158128480
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;methanol;hydrate
CID 87229017
methanol;2-oxopropyl acetate
CID 174729097

Frequently Asked Questions

What is the IUPAC name of amino acetate;methanol?
The IUPAC name of amino acetate;methanol (CID 174604339) is amino acetate;methanol.
What is the SMILES notation for amino acetate;methanol?
The canonical SMILES for amino acetate;methanol is CC(=O)ON.CO.
What is the InChIKey of amino acetate;methanol?
The InChIKey is XYKYUMOIKNAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.CH4O/c1-2(4)5-3;1-2/h3H2,1H3;2H,1H3.
What are the key properties of amino acetate;methanol?
amino acetate;methanol has a molecular weight of 107.11 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino acetate;methanol is sourced from PubChem (CID 174604339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).