2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid

C15H15BrN2O3 — CID 119202809

IUPAC2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1[nH]c2ccccc2c1Br)C1CC1
InChIInChI=1S/C15H15BrN2O3/c1-8(15(20)21)18(9-6-7-9)14(19)13-12(16)10-4-2-3-5-11(10)17-13/h2-5,8-9,17H,6-7H2,1H3,(H,20,21)
InChIKeyRZJPORKRIUSUMB-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid

2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid (PubChem CID 119202809) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid
PubChem CID119202809
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1[nH]c2ccccc2c1Br)C1CC1
InChIInChI=1S/C15H15BrN2O3/c1-8(15(20)21)18(9-6-7-9)14(19)13-12(16)10-4-2-3-5-11(10)17-13/h2-5,8-9,17H,6-7H2,1H3,(H,20,21)
InChIKeyRZJPORKRIUSUMB-UHFFFAOYSA-N
XLogP3.01
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid (CID 119202809) is 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)c1[nH]c2ccccc2c1Br)C1CC1.
What is the InChIKey of 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid?
The InChIKey is RZJPORKRIUSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-8(15(20)21)18(9-6-7-9)14(19)13-12(16)10-4-2-3-5-11(10)17-13/h2-5,8-9,17H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid?
2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid has a molecular weight of 351.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119202809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).