3-hydroxypropylazanium formate

C4H11NO3 — CID 87192711

IUPAC3-hydroxypropylazanium formate
SMILESO=C[O-].[NH3+]CCCO
InChIInChI=1S/C3H9NO.CH2O2/c4-2-1-3-5;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyOHQGEXVFSPFCOA-UHFFFAOYSA-N
MW121.14 g/mol
LogP-3.02
Rot. Bonds2

About 3-hydroxypropylazanium formate

3-hydroxypropylazanium formate (PubChem CID 87192711) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-hydroxypropylazanium formate.

Molecular Properties

Compound Name3-hydroxypropylazanium formate
PubChem CID87192711
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name3-hydroxypropylazanium formate
SMILESO=C[O-].[NH3+]CCCO
InChIInChI=1S/C3H9NO.CH2O2/c4-2-1-3-5;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyOHQGEXVFSPFCOA-UHFFFAOYSA-N
XLogP-3.02
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-3.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropylazanium formate?
The IUPAC name of 3-hydroxypropylazanium formate (CID 87192711) is 3-hydroxypropylazanium formate.
What is the SMILES notation for 3-hydroxypropylazanium formate?
The canonical SMILES for 3-hydroxypropylazanium formate is O=C[O-].[NH3+]CCCO.
What is the InChIKey of 3-hydroxypropylazanium formate?
The InChIKey is OHQGEXVFSPFCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.CH2O2/c4-2-1-3-5;2-1-3/h5H,1-4H2;1H,(H,2,3).
What are the key properties of 3-hydroxypropylazanium formate?
3-hydroxypropylazanium formate has a molecular weight of 121.14 g/mol, XLogP of -3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropylazanium formate is sourced from PubChem (CID 87192711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).