2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid

C10H12BrNO3 — CID 82626061

IUPAC2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-15-7-3-2-6(8(11)5-7)4-9(12)10(13)14/h2-3,5,9H,4,12H2,1H3,(H,13,14)
InChIKeyVJWOGPHEGCJVIA-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid

2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid (PubChem CID 82626061) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
PubChem CID82626061
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-15-7-3-2-6(8(11)5-7)4-9(12)10(13)14/h2-3,5,9H,4,12H2,1H3,(H,13,14)
InChIKeyVJWOGPHEGCJVIA-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[2-bromo-4-(trifluoromethoxy)phenyl]propanoic acid
CID 165357050
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propanoic acid
CID 170879632
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
CID 115004637
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
2-amino-3-(5-bromo-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117494624
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
CID 21039854

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid (CID 82626061) is 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid is COc1ccc(CC(N)C(=O)O)c(Br)c1.
What is the InChIKey of 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid?
The InChIKey is VJWOGPHEGCJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-15-7-3-2-6(8(11)5-7)4-9(12)10(13)14/h2-3,5,9H,4,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid?
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82626061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).