3-(2-amino-3-hydroxyphenyl)propanoic acid

C9H11NO3 — CID 131073372

IUPAC3-(2-amino-3-hydroxyphenyl)propanoic acid
SMILESNc1c(O)cccc1CCC(=O)O
InChIInChI=1S/C9H11NO3/c10-9-6(4-5-8(12)13)2-1-3-7(9)11/h1-3,11H,4-5,10H2,(H,12,13)
InChIKeyHNFQZSAAQXGKAD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.99
Rot. Bonds3

About 3-(2-amino-3-hydroxyphenyl)propanoic acid

3-(2-amino-3-hydroxyphenyl)propanoic acid (PubChem CID 131073372) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-amino-3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-3-hydroxyphenyl)propanoic acid
PubChem CID131073372
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(2-amino-3-hydroxyphenyl)propanoic acid
SMILESNc1c(O)cccc1CCC(=O)O
InChIInChI=1S/C9H11NO3/c10-9-6(4-5-8(12)13)2-1-3-7(9)11/h1-3,11H,4-5,10H2,(H,12,13)
InChIKeyHNFQZSAAQXGKAD-UHFFFAOYSA-N
XLogP0.99
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-hydroxy-2-(hydroxyamino)phenyl]propanoic acid
CID 91302219
2-amino-3-[(2-amino-3-hydroxyphenyl)methyl]phenol
CID 23106823
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
3-[2-(2-carboxyethyl)-3-phosphanylphenyl]propanoic acid
CID 22492834
3-[2-(2-sulfanylethyl)phenyl]propanoic acid
CID 130239903
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-(7-hydroxy-1-benzothiophen-3-yl)propanoic acid
CID 117197851
3-(3-aminoquinolin-8-yl)propanoic acid
CID 84784640
3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
CID 84690441
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
CID 123409299
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2-amino-3-hydroxyphenyl)propanoic acid (CID 131073372) is 3-(2-amino-3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-amino-3-hydroxyphenyl)propanoic acid is Nc1c(O)cccc1CCC(=O)O.
What is the InChIKey of 3-(2-amino-3-hydroxyphenyl)propanoic acid?
The InChIKey is HNFQZSAAQXGKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-9-6(4-5-8(12)13)2-1-3-7(9)11/h1-3,11H,4-5,10H2,(H,12,13).
What are the key properties of 3-(2-amino-3-hydroxyphenyl)propanoic acid?
3-(2-amino-3-hydroxyphenyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 131073372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).