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

C9H11BrClNO2 — CID 51358157

IUPAC(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](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/t8-;/m0./s1
InChIKeyBJVZGHXWILEJDD-QRPNPIFTSA-N
MW280.55 g/mol
LogP1.83
Rot. Bonds3

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

(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride (PubChem CID 51358157) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
PubChem CID51358157
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](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/t8-;/m0./s1
InChIKeyBJVZGHXWILEJDD-QRPNPIFTSA-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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Related Compounds

(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
2-amino-3-[(2-bromophenyl)methylsulfanyl]propanoic acid
CID 24698640
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
2-amino-5-(2-bromophenyl)pentanoic acid
CID 83664407
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
(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
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride (CID 51358157) is (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccccc1Br)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
The InChIKey is BJVZGHXWILEJDD-QRPNPIFTSA-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/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride?
(2S)-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 (2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 51358157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).