formic acid;3-methoxypropan-1-amine

C5H13NO3 — CID 87829742

IUPACformic acid;3-methoxypropan-1-amine
SMILESCOCCCN.O=CO
InChIInChI=1S/C4H11NO.CH2O2/c1-6-4-2-3-5;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyODXGJZBGHZQNLF-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.32
Rot. Bonds3

About formic acid;3-methoxypropan-1-amine

formic acid;3-methoxypropan-1-amine (PubChem CID 87829742) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is formic acid;3-methoxypropan-1-amine.

Molecular Properties

Compound Nameformic acid;3-methoxypropan-1-amine
PubChem CID87829742
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Nameformic acid;3-methoxypropan-1-amine
SMILESCOCCCN.O=CO
InChIInChI=1S/C4H11NO.CH2O2/c1-6-4-2-3-5;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyODXGJZBGHZQNLF-UHFFFAOYSA-N
XLogP-0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-methoxypropan-1-amine?
The IUPAC name of formic acid;3-methoxypropan-1-amine (CID 87829742) is formic acid;3-methoxypropan-1-amine.
What is the SMILES notation for formic acid;3-methoxypropan-1-amine?
The canonical SMILES for formic acid;3-methoxypropan-1-amine is COCCCN.O=CO.
What is the InChIKey of formic acid;3-methoxypropan-1-amine?
The InChIKey is ODXGJZBGHZQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH2O2/c1-6-4-2-3-5;2-1-3/h2-5H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-methoxypropan-1-amine?
formic acid;3-methoxypropan-1-amine has a molecular weight of 135.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methoxypropan-1-amine is sourced from PubChem (CID 87829742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).