(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride

C4H10ClNO3 — CID 11105588

IUPAC(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride
SMILESCOC(=O)C(O)C[NH3+].[Cl-]
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H
InChIKeyVHMGYHFYSWICSP-UHFFFAOYSA-N
MW155.58 g/mol
LogP-5.23
Rot. Bonds2

About (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride

(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride (PubChem CID 11105588) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride.

Molecular Properties

Compound Name(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride
PubChem CID11105588
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride
SMILESCOC(=O)C(O)C[NH3+].[Cl-]
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H
InChIKeyVHMGYHFYSWICSP-UHFFFAOYSA-N
XLogP-5.23
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-5.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride?
The IUPAC name of (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride (CID 11105588) is (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride.
What is the SMILES notation for (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride?
The canonical SMILES for (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride is COC(=O)C(O)C[NH3+].[Cl-].
What is the InChIKey of (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride?
The InChIKey is VHMGYHFYSWICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H.
What are the key properties of (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride?
(2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride has a molecular weight of 155.58 g/mol, XLogP of -5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxy-3-oxopropyl)azanium chloride is sourced from PubChem (CID 11105588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).