(2R)-2-amino-3-(2-boronophenyl)propanoic acid

C9H12BNO4 — CID 131503499

IUPAC(2R)-2-amino-3-(2-boronophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1B(O)O)C(=O)O
InChIInChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyBYJLVDDNZDSGBK-MRVPVSSYSA-N
MW209.01 g/mol
LogP-1.68
Rot. Bonds4

About (2R)-2-amino-3-(2-boronophenyl)propanoic acid

(2R)-2-amino-3-(2-boronophenyl)propanoic acid (PubChem CID 131503499) has the molecular formula C9H12BNO4 and a molecular weight of 209.01 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-boronophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-boronophenyl)propanoic acid
PubChem CID131503499
Molecular FormulaC9H12BNO4
Molecular Weight209.01 g/mol
Exact Mass209.09
IUPAC Name(2R)-2-amino-3-(2-boronophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1B(O)O)C(=O)O
InChIInChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyBYJLVDDNZDSGBK-MRVPVSSYSA-N
XLogP-1.68
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.01
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-boronophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-boronophenyl)propanoic acid (CID 131503499) is (2R)-2-amino-3-(2-boronophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-boronophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-boronophenyl)propanoic acid is N[C@H](Cc1ccccc1B(O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-boronophenyl)propanoic acid?
The InChIKey is BYJLVDDNZDSGBK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-boronophenyl)propanoic acid?
(2R)-2-amino-3-(2-boronophenyl)propanoic acid has a molecular weight of 209.01 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-boronophenyl)propanoic acid is sourced from PubChem (CID 131503499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).