acetic acid;2-methyliminoacetic acid

C5H9NO4 — CID 87702194

IUPACacetic acid;2-methyliminoacetic acid
SMILESC/N=C/C(=O)O.CC(=O)O
InChIInChI=1S/C3H5NO2.C2H4O2/c1-4-2-3(5)6;1-2(3)4/h2H,1H3,(H,5,6);1H3,(H,3,4)/b4-2+;
InChIKeyBXJVBVJKBWSOCG-VEELZWTKSA-N
MW147.13 g/mol
LogP-0.14
Rot. Bonds1

About acetic acid;2-methyliminoacetic acid

acetic acid;2-methyliminoacetic acid (PubChem CID 87702194) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is acetic acid;2-methyliminoacetic acid.

Molecular Properties

Compound Nameacetic acid;2-methyliminoacetic acid
PubChem CID87702194
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Nameacetic acid;2-methyliminoacetic acid
SMILESC/N=C/C(=O)O.CC(=O)O
InChIInChI=1S/C3H5NO2.C2H4O2/c1-4-2-3(5)6;1-2(3)4/h2H,1H3,(H,5,6);1H3,(H,3,4)/b4-2+;
InChIKeyBXJVBVJKBWSOCG-VEELZWTKSA-N
XLogP-0.14
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(4-fluorophenyl)boronic acid;2-methyliminoacetic acid
CID 175255981
2-acetyliminoacetic acid
CID 131637969
acetic acid
CID 158444727
acetic acid;trimethylsilane
CID 158099392
4-methylimino-3-oxobutanoic acid
CID 141059268
acetic acid;ethane
CID 173226324
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyliminoacetic acid?
The IUPAC name of acetic acid;2-methyliminoacetic acid (CID 87702194) is acetic acid;2-methyliminoacetic acid.
What is the SMILES notation for acetic acid;2-methyliminoacetic acid?
The canonical SMILES for acetic acid;2-methyliminoacetic acid is C/N=C/C(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;2-methyliminoacetic acid?
The InChIKey is BXJVBVJKBWSOCG-VEELZWTKSA-N. The full InChI is InChI=1S/C3H5NO2.C2H4O2/c1-4-2-3(5)6;1-2(3)4/h2H,1H3,(H,5,6);1H3,(H,3,4)/b4-2+;.
What are the key properties of acetic acid;2-methyliminoacetic acid?
acetic acid;2-methyliminoacetic acid has a molecular weight of 147.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyliminoacetic acid is sourced from PubChem (CID 87702194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).