2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid

C8H10BrNO3 — CID 82665105

IUPAC2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid
SMILESCc1oc(Br)cc1CC(N)C(=O)O
InChIInChI=1S/C8H10BrNO3/c1-4-5(3-7(9)13-4)2-6(10)8(11)12/h3,6H,2,10H2,1H3,(H,11,12)
InChIKeyBQAFHFGSJRFZTI-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid

2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid (PubChem CID 82665105) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid
PubChem CID82665105
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid
SMILESCc1oc(Br)cc1CC(N)C(=O)O
InChIInChI=1S/C8H10BrNO3/c1-4-5(3-7(9)13-4)2-6(10)8(11)12/h3,6H,2,10H2,1H3,(H,11,12)
InChIKeyBQAFHFGSJRFZTI-UHFFFAOYSA-N
XLogP1.30
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
2-amino-3-(3-bromo-2-methoxy-5-methylphenyl)propanoic acid
CID 115004637
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
(2S)-2-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 57266974
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
2-amino-3-(5-bromo-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117494624
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
2-amino-3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 136574243
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid (CID 82665105) is 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid is Cc1oc(Br)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid?
The InChIKey is BQAFHFGSJRFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-4-5(3-7(9)13-4)2-6(10)8(11)12/h3,6H,2,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid?
2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid has a molecular weight of 248.08 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid is sourced from PubChem (CID 82665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).