[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium

C15H18BrN2O2+ — CID 8596617

IUPAC[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium
SMILESC[C@H](C(N)=O)[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrN2O2/c1-10(15(17)19)18(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H2,17,19)/p+1/t10-/m1/s1
InChIKeyPGHXLJMJXUSTEA-SNVBAGLBSA-O
MW338.23 g/mol
LogP1.60
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium

[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium (PubChem CID 8596617) has the molecular formula C15H18BrN2O2+ and a molecular weight of 338.23 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium
PubChem CID8596617
Molecular FormulaC15H18BrN2O2+
Molecular Weight338.23 g/mol
Exact Mass337.05
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium
SMILESC[C@H](C(N)=O)[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrN2O2/c1-10(15(17)19)18(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H2,17,19)/p+1/t10-/m1/s1
InChIKeyPGHXLJMJXUSTEA-SNVBAGLBSA-O
XLogP1.60
TPSA60.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium (CID 8596617) is [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium is C[C@H](C(N)=O)[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium?
The InChIKey is PGHXLJMJXUSTEA-SNVBAGLBSA-O. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(15(17)19)18(2)9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H2,17,19)/p+1/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium?
[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium has a molecular weight of 338.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium is sourced from PubChem (CID 8596617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).