3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid

C12H14N2O2 — CID 593496

IUPAC3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
SMILESCN(C)Cc1c[nH]c2c(C(=O)O)cccc12
InChIInChI=1S/C12H14N2O2/c1-14(2)7-8-6-13-11-9(8)4-3-5-10(11)12(15)16/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyLVZFUHOWOPALKG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.93
Rot. Bonds3

About 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid

3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid (PubChem CID 593496) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
PubChem CID593496
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
SMILESCN(C)Cc1c[nH]c2c(C(=O)O)cccc12
InChIInChI=1S/C12H14N2O2/c1-14(2)7-8-6-13-11-9(8)4-3-5-10(11)12(15)16/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyLVZFUHOWOPALKG-UHFFFAOYSA-N
XLogP1.93
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-ylsulfonylmethyl)-1H-indole-7-carboxylic acid
CID 117182125
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144
3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
CID 84686528
(7-acetyl-1H-indol-3-yl)methyl-trimethylazanium
CID 58533631
3-[[2-cyclohepta-2,6-dien-1-ylethyl(methyl)amino]methyl]-1H-indol-7-ol
CID 166593938
4-ethyl-1-oxo-2H-isoquinoline-5-carboxylic acid
CID 115063502
3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid
CID 69457737
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
CID 909098
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid (CID 593496) is 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid is CN(C)Cc1c[nH]c2c(C(=O)O)cccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid?
The InChIKey is LVZFUHOWOPALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(2)7-8-6-13-11-9(8)4-3-5-10(11)12(15)16/h3-6,13H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid?
3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 593496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).