2-aminopropanoic acid;bromobenzene

C9H12BrNO2 — CID 174728790

IUPAC2-aminopropanoic acid;bromobenzene
SMILESBrc1ccccc1.CC(N)C(=O)O
InChIInChI=1S/C6H5Br.C3H7NO2/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H;2H,4H2,1H3,(H,5,6)
InChIKeyYTRPGNRDCIHSLU-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.87
Rot. Bonds1

About 2-aminopropanoic acid;bromobenzene

2-aminopropanoic acid;bromobenzene (PubChem CID 174728790) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-aminopropanoic acid;bromobenzene.

Molecular Properties

Compound Name2-aminopropanoic acid;bromobenzene
PubChem CID174728790
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-aminopropanoic acid;bromobenzene
SMILESBrc1ccccc1.CC(N)C(=O)O
InChIInChI=1S/C6H5Br.C3H7NO2/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H;2H,4H2,1H3,(H,5,6)
InChIKeyYTRPGNRDCIHSLU-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bromobenzene;2-methylpropanoic acid
CID 161414632
2-aminopropanoic acid;toluene
CID 18362169
2-aminopropanoic acid;benzene;iron
CID 174869891
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;bromobenzene?
The IUPAC name of 2-aminopropanoic acid;bromobenzene (CID 174728790) is 2-aminopropanoic acid;bromobenzene.
What is the SMILES notation for 2-aminopropanoic acid;bromobenzene?
The canonical SMILES for 2-aminopropanoic acid;bromobenzene is Brc1ccccc1.CC(N)C(=O)O.
What is the InChIKey of 2-aminopropanoic acid;bromobenzene?
The InChIKey is YTRPGNRDCIHSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C3H7NO2/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;bromobenzene?
2-aminopropanoic acid;bromobenzene has a molecular weight of 246.10 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;bromobenzene is sourced from PubChem (CID 174728790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).