2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid

C10H14BNO5 — CID 175188819

IUPAC2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid
SMILESCOB(O)Oc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H14BNO5/c1-16-11(15)17-8-4-2-7(3-5-8)6-9(12)10(13)14/h2-5,9,15H,6,12H2,1H3,(H,13,14)
InChIKeyUWOWWLYHTKJRND-UHFFFAOYSA-N
MW239.04 g/mol
LogP-0.36
Rot. Bonds6

About 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid

2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid (PubChem CID 175188819) has the molecular formula C10H14BNO5 and a molecular weight of 239.04 g/mol. Its IUPAC name is 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid
PubChem CID175188819
Molecular FormulaC10H14BNO5
Molecular Weight239.04 g/mol
Exact Mass239.10
IUPAC Name2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid
SMILESCOB(O)Oc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H14BNO5/c1-16-11(15)17-8-4-2-7(3-5-8)6-9(12)10(13)14/h2-5,9,15H,6,12H2,1H3,(H,13,14)
InChIKeyUWOWWLYHTKJRND-UHFFFAOYSA-N
XLogP-0.36
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2R)-2-amino-3-[4-(methylsulfanylmethoxy)phenyl]propanoic acid
CID 144552252
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
2-amino-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
CID 22386449
(2S)-2-amino-3-[4-[hydroxy(methyl)phosphoryl]oxyphenyl]propanoic acid
CID 141175288
(2R)-2-amino-3-[4-(chloromethoxycarbonyloxy)phenyl]propanoic acid
CID 66562275
2-amino-3-[4-(2,2-dimethylpropanoyloxy)phenyl]propanoic acid
CID 10264836
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol
CID 70443356
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid (CID 175188819) is 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid is COB(O)Oc1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid?
The InChIKey is UWOWWLYHTKJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO5/c1-16-11(15)17-8-4-2-7(3-5-8)6-9(12)10(13)14/h2-5,9,15H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid?
2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid has a molecular weight of 239.04 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[hydroxy(methoxy)boranyl]oxyphenyl]propanoic acid is sourced from PubChem (CID 175188819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).