2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride

C9H11BrClNO2 — CID 14208846

IUPAC2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO2.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyBJVZGHXWILEJDD-UHFFFAOYSA-N
MW280.55 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride

2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride (PubChem CID 14208846) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
PubChem CID14208846
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO2.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyBJVZGHXWILEJDD-UHFFFAOYSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride (CID 14208846) is 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride is Cl.NC(Cc1ccccc1Br)C(=O)O.
What is the InChIKey of 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The InChIKey is BJVZGHXWILEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H.
What are the key properties of 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride has a molecular weight of 280.55 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 14208846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).