3-(1H-indol-2-yl)-2-methylpropanoic acid

C12H13NO2 — CID 22476899

IUPAC3-(1H-indol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C12H13NO2/c1-8(12(14)15)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7-8,13H,6H2,1H3,(H,14,15)
InChIKeyOLXGURCIOIELAX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.43
Rot. Bonds3

About 3-(1H-indol-2-yl)-2-methylpropanoic acid

3-(1H-indol-2-yl)-2-methylpropanoic acid (PubChem CID 22476899) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-2-methylpropanoic acid
PubChem CID22476899
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(1H-indol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C12H13NO2/c1-8(12(14)15)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7-8,13H,6H2,1H3,(H,14,15)
InChIKeyOLXGURCIOIELAX-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-2-yl)-2-methylpropanamide
CID 19047777
1-(1H-indol-2-yl)-2-(iodoamino)-4-methylpentan-3-one
CID 176556183
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
CID 14678463
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
8-(1H-indol-2-yl)octanoic acid
CID 54343320
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1H-indol-2-yl)-2-methylpropanoic acid (CID 22476899) is 3-(1H-indol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1H-indol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1H-indol-2-yl)-2-methylpropanoic acid is CC(Cc1cc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of 3-(1H-indol-2-yl)-2-methylpropanoic acid?
The InChIKey is OLXGURCIOIELAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(12(14)15)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7-8,13H,6H2,1H3,(H,14,15).
What are the key properties of 3-(1H-indol-2-yl)-2-methylpropanoic acid?
3-(1H-indol-2-yl)-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 22476899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).