(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide

C7H9BrN2O2 — CID 29060163

IUPAC(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Br)o1
InChIInChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H2,10,11)/t4-/m1/s1
InChIKeyNVFDVXSDUHWAHD-SCSAIBSYSA-N
MW233.06 g/mol
LogP0.92
Rot. Bonds3

About (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide

(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide (PubChem CID 29060163) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
PubChem CID29060163
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Br)o1
InChIInChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H2,10,11)/t4-/m1/s1
InChIKeyNVFDVXSDUHWAHD-SCSAIBSYSA-N
XLogP0.92
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide (CID 29060163) is (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide is NC(=O)C[C@@H](N)c1ccc(Br)o1.
What is the InChIKey of (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide?
The InChIKey is NVFDVXSDUHWAHD-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H2,10,11)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide?
(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide has a molecular weight of 233.06 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromofuran-2-yl)propanamide is sourced from PubChem (CID 29060163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).