2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid

C12H15NO3 — CID 170196802

IUPAC2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
SMILESCN1c2ccccc2C[C@H]1COCC(=O)O
InChIInChI=1S/C12H15NO3/c1-13-10(7-16-8-12(14)15)6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyLMZIEODHVDRCOX-JTQLQIEISA-N
MW221.26 g/mol
LogP1.15
Rot. Bonds4

About 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid

2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid (PubChem CID 170196802) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
PubChem CID170196802
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
SMILESCN1c2ccccc2C[C@H]1COCC(=O)O
InChIInChI=1S/C12H15NO3/c1-13-10(7-16-8-12(14)15)6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyLMZIEODHVDRCOX-JTQLQIEISA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfanyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 143858275
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-[[1-(3,4-dichlorophenyl)sulfinyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]acetic acid
CID 143652519
(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide
CID 71733525
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid (CID 170196802) is 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid is CN1c2ccccc2C[C@H]1COCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid?
The InChIKey is LMZIEODHVDRCOX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-10(7-16-8-12(14)15)6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid?
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 170196802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).