2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid

C13H17NO3 — CID 83860546

IUPAC2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCOc1ccc(C)c2c1NC(C(C)C(=O)O)C2
InChIInChI=1S/C13H17NO3/c1-7-4-5-11(17-3)12-9(7)6-10(14-12)8(2)13(15)16/h4-5,8,10,14H,6H2,1-3H3,(H,15,16)
InChIKeyJYHJHLFSNOVOCU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.06
Rot. Bonds3

About 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid

2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 83860546) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID83860546
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCOc1ccc(C)c2c1NC(C(C)C(=O)O)C2
InChIInChI=1S/C13H17NO3/c1-7-4-5-11(17-3)12-9(7)6-10(14-12)8(2)13(15)16/h4-5,8,10,14H,6H2,1-3H3,(H,15,16)
InChIKeyJYHJHLFSNOVOCU-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043
9-methoxy-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217600
(8-methoxy-5-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methanamine
CID 84620741
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3436838
2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643530
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 113361275

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 83860546) is 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid is COc1ccc(C)c2c1NC(C(C)C(=O)O)C2.
What is the InChIKey of 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is JYHJHLFSNOVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-7-4-5-11(17-3)12-9(7)6-10(14-12)8(2)13(15)16/h4-5,8,10,14H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 83860546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).