2-amino-3-(2,3-dibromophenyl)propanoic acid

C9H9Br2NO2 — CID 22326254

IUPAC2-amino-3-(2,3-dibromophenyl)propanoic acid
SMILESNC(Cc1cccc(Br)c1Br)C(=O)O
InChIInChI=1S/C9H9Br2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)
InChIKeyVVVQJYLRRVEQIP-UHFFFAOYSA-N
MW322.98 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-3-(2,3-dibromophenyl)propanoic acid

2-amino-3-(2,3-dibromophenyl)propanoic acid (PubChem CID 22326254) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 2-amino-3-(2,3-dibromophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3-dibromophenyl)propanoic acid
PubChem CID22326254
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name2-amino-3-(2,3-dibromophenyl)propanoic acid
SMILESNC(Cc1cccc(Br)c1Br)C(=O)O
InChIInChI=1S/C9H9Br2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)
InChIKeyVVVQJYLRRVEQIP-UHFFFAOYSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(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-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dibromophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2,3-dibromophenyl)propanoic acid (CID 22326254) is 2-amino-3-(2,3-dibromophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,3-dibromophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,3-dibromophenyl)propanoic acid is NC(Cc1cccc(Br)c1Br)C(=O)O.
What is the InChIKey of 2-amino-3-(2,3-dibromophenyl)propanoic acid?
The InChIKey is VVVQJYLRRVEQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14).
What are the key properties of 2-amino-3-(2,3-dibromophenyl)propanoic acid?
2-amino-3-(2,3-dibromophenyl)propanoic acid has a molecular weight of 322.98 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dibromophenyl)propanoic acid is sourced from PubChem (CID 22326254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).