(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate

C10H13NO3 — CID 6919154

IUPAC(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate
SMILESC[C@@H]([NH2+]Cc1ccccc1O)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyOGCTZOZVPQSYDN-SSDOTTSWSA-N
MW195.22 g/mol
LogP-1.41
Rot. Bonds4

About (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate

(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate (PubChem CID 6919154) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate
PubChem CID6919154
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate
SMILESC[C@@H]([NH2+]Cc1ccccc1O)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyOGCTZOZVPQSYDN-SSDOTTSWSA-N
XLogP-1.41
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate?
The IUPAC name of (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate (CID 6919154) is (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate.
What is the SMILES notation for (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate?
The canonical SMILES for (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate is C[C@@H]([NH2+]Cc1ccccc1O)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate?
The InChIKey is OGCTZOZVPQSYDN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate?
(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate has a molecular weight of 195.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]propanoate is sourced from PubChem (CID 6919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).