3-(5-methoxy-1H-indol-2-yl)propanoic acid

C12H13NO3 — CID 18987712

IUPAC3-(5-methoxy-1H-indol-2-yl)propanoic acid
SMILESCOc1ccc2[nH]c(CCC(=O)O)cc2c1
InChIInChI=1S/C12H13NO3/c1-16-10-3-4-11-8(7-10)6-9(13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
InChIKeyGSFCHZFQUZWTKN-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.19
Rot. Bonds4

About 3-(5-methoxy-1H-indol-2-yl)propanoic acid

3-(5-methoxy-1H-indol-2-yl)propanoic acid (PubChem CID 18987712) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-2-yl)propanoic acid
PubChem CID18987712
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(5-methoxy-1H-indol-2-yl)propanoic acid
SMILESCOc1ccc2[nH]c(CCC(=O)O)cc2c1
InChIInChI=1S/C12H13NO3/c1-16-10-3-4-11-8(7-10)6-9(13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
InChIKeyGSFCHZFQUZWTKN-UHFFFAOYSA-N
XLogP2.19
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 22570254
azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 66819216
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756
tert-butyl N-[(2S)-1-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-3-phenylpropan-2-yl]carbamate
CID 101348237
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-2-yl)propanoic acid?
The IUPAC name of 3-(5-methoxy-1H-indol-2-yl)propanoic acid (CID 18987712) is 3-(5-methoxy-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methoxy-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methoxy-1H-indol-2-yl)propanoic acid is COc1ccc2[nH]c(CCC(=O)O)cc2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-2-yl)propanoic acid?
The InChIKey is GSFCHZFQUZWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-10-3-4-11-8(7-10)6-9(13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-(5-methoxy-1H-indol-2-yl)propanoic acid?
3-(5-methoxy-1H-indol-2-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 18987712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).