(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid

C8H8BrNO4 — CID 106885916

IUPAC(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1occc1Br
InChIInChI=1S/C8H8BrNO4/c9-5-1-2-14-8(5)6(10-4-11)3-7(12)13/h1-2,4,6H,3H2,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyQAYAYEVXWCLYML-ZCFIWIBFSA-N
MW262.06 g/mol
LogP1.30
Rot. Bonds5

About (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid

(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid (PubChem CID 106885916) has the molecular formula C8H8BrNO4 and a molecular weight of 262.06 g/mol. Its IUPAC name is (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid
PubChem CID106885916
Molecular FormulaC8H8BrNO4
Molecular Weight262.06 g/mol
Exact Mass260.96
IUPAC Name(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1occc1Br
InChIInChI=1S/C8H8BrNO4/c9-5-1-2-14-8(5)6(10-4-11)3-7(12)13/h1-2,4,6H,3H2,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyQAYAYEVXWCLYML-ZCFIWIBFSA-N
XLogP1.30
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid (CID 106885916) is (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1occc1Br.
What is the InChIKey of (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid?
The InChIKey is QAYAYEVXWCLYML-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8BrNO4/c9-5-1-2-14-8(5)6(10-4-11)3-7(12)13/h1-2,4,6H,3H2,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid?
(3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid has a molecular weight of 262.06 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromofuran-2-yl)-3-formamidopropanoic acid is sourced from PubChem (CID 106885916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).