2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid

C16H20N2O2 — CID 117180869

IUPAC2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H20N2O2/c1-10(2)18-14(9-17-13-5-6-13)7-11-3-4-12(16(19)20)8-15(11)18/h3-4,7-8,10,13,17H,5-6,9H2,1-2H3,(H,19,20)
InChIKeySAYCURXRPPUYJQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.17
Rot. Bonds5

About 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid

2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid (PubChem CID 117180869) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
PubChem CID117180869
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H20N2O2/c1-10(2)18-14(9-17-13-5-6-13)7-11-3-4-12(16(19)20)8-15(11)18/h3-4,7-8,10,13,17H,5-6,9H2,1-2H3,(H,19,20)
InChIKeySAYCURXRPPUYJQ-UHFFFAOYSA-N
XLogP3.17
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid?
The IUPAC name of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid (CID 117180869) is 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid is CC(C)n1c(CNC2CC2)cc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid?
The InChIKey is SAYCURXRPPUYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)18-14(9-17-13-5-6-13)7-11-3-4-12(16(19)20)8-15(11)18/h3-4,7-8,10,13,17H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid?
2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid is sourced from PubChem (CID 117180869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).