2-amino-3-(3-bromofuran-2-yl)propanoic acid

C7H8BrNO3 — CID 106885892

IUPAC2-amino-3-(3-bromofuran-2-yl)propanoic acid
SMILESNC(Cc1occc1Br)C(=O)O
InChIInChI=1S/C7H8BrNO3/c8-4-1-2-12-6(4)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)
InChIKeyNPZLGABQPOYFLX-UHFFFAOYSA-N
MW234.05 g/mol
LogP1.00
Rot. Bonds3

About 2-amino-3-(3-bromofuran-2-yl)propanoic acid

2-amino-3-(3-bromofuran-2-yl)propanoic acid (PubChem CID 106885892) has the molecular formula C7H8BrNO3 and a molecular weight of 234.05 g/mol. Its IUPAC name is 2-amino-3-(3-bromofuran-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-bromofuran-2-yl)propanoic acid
PubChem CID106885892
Molecular FormulaC7H8BrNO3
Molecular Weight234.05 g/mol
Exact Mass232.97
IUPAC Name2-amino-3-(3-bromofuran-2-yl)propanoic acid
SMILESNC(Cc1occc1Br)C(=O)O
InChIInChI=1S/C7H8BrNO3/c8-4-1-2-12-6(4)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)
InChIKeyNPZLGABQPOYFLX-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(7-bromo-1,3-benzodioxol-4-yl)propanoic acid
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2-amino-3-(6-bromo-2,3-dihydroxyphenyl)propanoic acid
CID 117441558
(2R)-2-amino-3-(1,2-oxazol-5-yl)propanoic acid
CID 93495290
(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
CID 102841274
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-(3-bromofuran-2-yl)ethanol
CID 63943836
2-amino-2-(2-ethylfuran-3-yl)acetic acid
CID 55295015
(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
CID 53360787

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromofuran-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-bromofuran-2-yl)propanoic acid (CID 106885892) is 2-amino-3-(3-bromofuran-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-bromofuran-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-bromofuran-2-yl)propanoic acid is NC(Cc1occc1Br)C(=O)O.
What is the InChIKey of 2-amino-3-(3-bromofuran-2-yl)propanoic acid?
The InChIKey is NPZLGABQPOYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3/c8-4-1-2-12-6(4)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11).
What are the key properties of 2-amino-3-(3-bromofuran-2-yl)propanoic acid?
2-amino-3-(3-bromofuran-2-yl)propanoic acid has a molecular weight of 234.05 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromofuran-2-yl)propanoic acid is sourced from PubChem (CID 106885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).