acetic acid;formic acid;methanamine

C5H16N2O4 — CID 174229487

IUPACacetic acid;formic acid;methanamine
SMILESCC(=O)O.CN.CN.O=CO
InChIInChI=1S/C2H4O2.2CH5N.CH2O2/c1-2(3)4;2*1-2;2-1-3/h1H3,(H,3,4);2*2H2,1H3;1H,(H,2,3)
InChIKeyGMMDJIXNLFRFBD-UHFFFAOYSA-N
MW168.19 g/mol
LogP-1.06
Rot. Bonds

About acetic acid;formic acid;methanamine

acetic acid;formic acid;methanamine (PubChem CID 174229487) has the molecular formula C5H16N2O4 and a molecular weight of 168.19 g/mol. Its IUPAC name is acetic acid;formic acid;methanamine.

Molecular Properties

Compound Nameacetic acid;formic acid;methanamine
PubChem CID174229487
Molecular FormulaC5H16N2O4
Molecular Weight168.19 g/mol
Exact Mass168.11
IUPAC Nameacetic acid;formic acid;methanamine
SMILESCC(=O)O.CN.CN.O=CO
InChIInChI=1S/C2H4O2.2CH5N.CH2O2/c1-2(3)4;2*1-2;2-1-3/h1H3,(H,3,4);2*2H2,1H3;1H,(H,2,3)
InChIKeyGMMDJIXNLFRFBD-UHFFFAOYSA-N
XLogP-1.06
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;formic acid;methanamine 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;formic acid;hydrogen peroxide
CID 172718921
acetic acid;formic acid;hydrate
CID 158162755
acetic acid;formic acid;methanol;hydrate
CID 162111021
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
acetamide;formic acid
CID 19762194
acetamide;benzene;formic acid
CID 174948168
acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
carbonic acid;formic acid
CID 87787770
acetic acid
CID 158444727
acetic acid;ethane;methanamine;methane;propan-2-one
CID 161286657
(E)-but-2-enedioic acid;formic acid
CID 87892293
acetic acid;but-2-yne-1,4-diol;formic acid
CID 87346473

Frequently Asked Questions

What is the IUPAC name of acetic acid;formic acid;methanamine?
The IUPAC name of acetic acid;formic acid;methanamine (CID 174229487) is acetic acid;formic acid;methanamine.
What is the SMILES notation for acetic acid;formic acid;methanamine?
The canonical SMILES for acetic acid;formic acid;methanamine is CC(=O)O.CN.CN.O=CO.
What is the InChIKey of acetic acid;formic acid;methanamine?
The InChIKey is GMMDJIXNLFRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2CH5N.CH2O2/c1-2(3)4;2*1-2;2-1-3/h1H3,(H,3,4);2*2H2,1H3;1H,(H,2,3).
What are the key properties of acetic acid;formic acid;methanamine?
acetic acid;formic acid;methanamine has a molecular weight of 168.19 g/mol, XLogP of -1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formic acid;methanamine is sourced from PubChem (CID 174229487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).