2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid

C13H16N2O2 — CID 117184356

IUPAC2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
SMILESCC(C)n1c(CN)cc2cccc(C(=O)O)c21
InChIInChI=1S/C13H16N2O2/c1-8(2)15-10(7-14)6-9-4-3-5-11(12(9)15)13(16)17/h3-6,8H,7,14H2,1-2H3,(H,16,17)
InChIKeyUNQCAQLWKQAMNV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.38
Rot. Bonds3

About 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid

2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid (PubChem CID 117184356) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
PubChem CID117184356
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
SMILESCC(C)n1c(CN)cc2cccc(C(=O)O)c21
InChIInChI=1S/C13H16N2O2/c1-8(2)15-10(7-14)6-9-4-3-5-11(12(9)15)13(16)17/h3-6,8H,7,14H2,1-2H3,(H,16,17)
InChIKeyUNQCAQLWKQAMNV-UHFFFAOYSA-N
XLogP2.38
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83963643
1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
CID 117184391
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
CID 117183919
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117197151
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid (CID 117184356) is 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid is CC(C)n1c(CN)cc2cccc(C(=O)O)c21.
What is the InChIKey of 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid?
The InChIKey is UNQCAQLWKQAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)15-10(7-14)6-9-4-3-5-11(12(9)15)13(16)17/h3-6,8H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid?
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid is sourced from PubChem (CID 117184356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).