2-(5-bromoindol-1-yl)propanoic acid

C11H10BrNO2 — CID 60756311

IUPAC2-(5-bromoindol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO2/c1-7(11(14)15)13-5-4-8-6-9(12)2-3-10(8)13/h2-7H,1H3,(H,14,15)
InChIKeyNPDPZJAIXBADEQ-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-bromoindol-1-yl)propanoic acid

2-(5-bromoindol-1-yl)propanoic acid (PubChem CID 60756311) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)propanoic acid
PubChem CID60756311
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-(5-bromoindol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO2/c1-7(11(14)15)13-5-4-8-6-9(12)2-3-10(8)13/h2-7H,1H3,(H,14,15)
InChIKeyNPDPZJAIXBADEQ-UHFFFAOYSA-N
XLogP3.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(5-bromoindol-1-yl)propanoate
CID 118001554
1-(5-bromoindol-1-yl)-N,N-dimethylethanamine
CID 170693260
2-(5-nitroindol-1-yl)propanoic acid
CID 60756249
2-(6-fluoroindol-1-yl)propanoic acid
CID 60758051
ethyl 2-(5-bromoindol-1-yl)pentanoate
CID 113345781
(2R)-2-[5-[(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]propanoic acid
CID 126202401
2-[6-(trifluoromethyl)indol-1-yl]propanoic acid
CID 123394835
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
(2S,3R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 45490726

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)propanoic acid?
The IUPAC name of 2-(5-bromoindol-1-yl)propanoic acid (CID 60756311) is 2-(5-bromoindol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-bromoindol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-bromoindol-1-yl)propanoic acid is CC(C(=O)O)n1ccc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromoindol-1-yl)propanoic acid?
The InChIKey is NPDPZJAIXBADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7(11(14)15)13-5-4-8-6-9(12)2-3-10(8)13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(5-bromoindol-1-yl)propanoic acid?
2-(5-bromoindol-1-yl)propanoic acid has a molecular weight of 268.11 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)propanoic acid is sourced from PubChem (CID 60756311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).