2-[(2-hydroxyphenyl)methylamino]propanoic acid

C10H13NO3 — CID 541878

IUPAC2-[(2-hydroxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccccc1O)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)
InChIKeyOGCTZOZVPQSYDN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methylamino]propanoic acid

2-[(2-hydroxyphenyl)methylamino]propanoic acid (PubChem CID 541878) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]propanoic acid
PubChem CID541878
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(2-hydroxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccccc1O)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)
InChIKeyOGCTZOZVPQSYDN-UHFFFAOYSA-N
XLogP0.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 53
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 2-[(2-hydroxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]propanoic acid (CID 541878) is 2-[(2-hydroxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]propanoic acid is CC(NCc1ccccc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]propanoic acid?
The InChIKey is OGCTZOZVPQSYDN-UHFFFAOYSA-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).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]propanoic acid?
2-[(2-hydroxyphenyl)methylamino]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 541878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).