4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid

C10H11NO3 — CID 82277350

IUPAC4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c1C(C(=O)O)CN2
InChIInChI=1S/C10H11NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyKMXLHXMNMWVYAB-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.29
Rot. Bonds2

About 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid

4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid (PubChem CID 82277350) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
PubChem CID82277350
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c1C(C(=O)O)CN2
InChIInChI=1S/C10H11NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyKMXLHXMNMWVYAB-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 130137807
4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 112716859
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84631866
2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116594634

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid?
The IUPAC name of 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid (CID 82277350) is 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid?
The canonical SMILES for 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid is COc1cccc2c1C(C(=O)O)CN2.
What is the InChIKey of 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid?
The InChIKey is KMXLHXMNMWVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid?
4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 82277350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).