2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate

C9H13NO3 — CID 139148732

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IUPAC2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
SMILESC[NH2+]C[C@H](O)c1ccc([O-])c(O)c1
InChIInChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChIKeyUCTWMZQNUQWSLP-VIFPVBQESA-N
MW183.21 g/mol
LogP-1.31
Rot. Bonds3

About 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate

2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate (PubChem CID 139148732) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate.

Molecular Properties

Compound Name2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
PubChem CID139148732
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
SMILESC[NH2+]C[C@H](O)c1ccc([O-])c(O)c1
InChIInChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChIKeyUCTWMZQNUQWSLP-VIFPVBQESA-N
XLogP-1.31
TPSA80.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate?
The IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate (CID 139148732) is 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate.
What is the SMILES notation for 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate?
The canonical SMILES for 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate is C[NH2+]C[C@H](O)c1ccc([O-])c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate?
The InChIKey is UCTWMZQNUQWSLP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1.
What are the key properties of 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate?
2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate has a molecular weight of 183.21 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate is sourced from PubChem (CID 139148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).