2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid

C11H13NO3 — CID 82276657

IUPAC2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCOc1cccc2c1C(CC(=O)O)CN2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-8-11(9)7(6-12-8)5-10(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyOZCQHDWQASRPHB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid

2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid (PubChem CID 82276657) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
PubChem CID82276657
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCOc1cccc2c1C(CC(=O)O)CN2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-8-11(9)7(6-12-8)5-10(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyOZCQHDWQASRPHB-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
CID 82277350
2-(4-nitro-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 57426192
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595
4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 130137807
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200532
3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
CID 71459006
2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 115023982
methyl 3-[4-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71455369
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
2-(5,7-dimethoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82496963

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid (CID 82276657) is 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid is COc1cccc2c1C(CC(=O)O)CN2.
What is the InChIKey of 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid?
The InChIKey is OZCQHDWQASRPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-9-4-2-3-8-11(9)7(6-12-8)5-10(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid?
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 82276657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).