methyl 2-(3-methoxyindol-1-yl)propanoate

C13H15NO3 — CID 162779328

IUPACmethyl 2-(3-methoxyindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1cc(OC)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-9(13(15)17-3)14-8-12(16-2)10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKeyGUPJGYBKNIIGMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-(3-methoxyindol-1-yl)propanoate

methyl 2-(3-methoxyindol-1-yl)propanoate (PubChem CID 162779328) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(3-methoxyindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyindol-1-yl)propanoate
PubChem CID162779328
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-(3-methoxyindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1cc(OC)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-9(13(15)17-3)14-8-12(16-2)10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKeyGUPJGYBKNIIGMX-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
tert-butyl 2-(3-bromoindol-1-yl)propanoate
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methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl 2-(6-methoxy-4-oxoquinolin-1-yl)propanoate
CID 53269611
methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
CID 11334378
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 2-[3-[(E)-2-isocyano-3-[4-(methanesulfonamido)phenyl]-3-oxoprop-1-enyl]indol-1-yl]propanoate
CID 20646419
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyindol-1-yl)propanoate?
The IUPAC name of methyl 2-(3-methoxyindol-1-yl)propanoate (CID 162779328) is methyl 2-(3-methoxyindol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(3-methoxyindol-1-yl)propanoate?
The canonical SMILES for methyl 2-(3-methoxyindol-1-yl)propanoate is COC(=O)C(C)n1cc(OC)c2ccccc21.
What is the InChIKey of methyl 2-(3-methoxyindol-1-yl)propanoate?
The InChIKey is GUPJGYBKNIIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(13(15)17-3)14-8-12(16-2)10-6-4-5-7-11(10)14/h4-9H,1-3H3.
What are the key properties of methyl 2-(3-methoxyindol-1-yl)propanoate?
methyl 2-(3-methoxyindol-1-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyindol-1-yl)propanoate is sourced from PubChem (CID 162779328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).