(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide

C7H8Br2N2O2 — CID 78986249

IUPAC(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
SMILESNC(=O)C[C@H](N)c1cc(Br)c(Br)o1
InChIInChI=1S/C7H8Br2N2O2/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m0/s1
InChIKeyDYOSBHJXCZTPTC-BYPYZUCNSA-N
MW311.96 g/mol
LogP1.68
Rot. Bonds3

About (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide

(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide (PubChem CID 78986249) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
PubChem CID78986249
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
SMILESNC(=O)C[C@H](N)c1cc(Br)c(Br)o1
InChIInChI=1S/C7H8Br2N2O2/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m0/s1
InChIKeyDYOSBHJXCZTPTC-BYPYZUCNSA-N
XLogP1.68
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide (CID 78986249) is (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide is NC(=O)C[C@H](N)c1cc(Br)c(Br)o1.
What is the InChIKey of (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide?
The InChIKey is DYOSBHJXCZTPTC-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8Br2N2O2/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide?
(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide has a molecular weight of 311.96 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide is sourced from PubChem (CID 78986249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).