(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid

C9H11BrN2O2 — CID 130607819

IUPAC(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
SMILESNc1cc(Br)ccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C9H11BrN2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyMUDYFENAILGJFZ-MRVPVSSYSA-N
MW259.10 g/mol
LogP0.99
Rot. Bonds3

About (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid

(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid (PubChem CID 130607819) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
PubChem CID130607819
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
SMILESNc1cc(Br)ccc1C[C@@H](N)C(=O)O
InChIInChI=1S/C9H11BrN2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyMUDYFENAILGJFZ-MRVPVSSYSA-N
XLogP0.99
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
CID 175064494
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
(2S)-2-amino-3-[3-amino-4-(sulfanylmethyl)phenyl]propanoic acid
CID 88757586
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid (CID 130607819) is (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid is Nc1cc(Br)ccc1C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid?
The InChIKey is MUDYFENAILGJFZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,11-12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid?
(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid is sourced from PubChem (CID 130607819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).