ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate

C14H19NO3 — CID 23652761

IUPACethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CNc2ccc(OC)cc21
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)7-4-10-9-15-13-6-5-11(17-2)8-12(10)13/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyRAWPJJUWKOOQPO-JTQLQIEISA-N
MW249.31 g/mol
LogP2.55
Rot. Bonds5

About ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate

ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate (PubChem CID 23652761) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
PubChem CID23652761
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CNc2ccc(OC)cc21
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)7-4-10-9-15-13-6-5-11(17-2)8-12(10)13/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyRAWPJJUWKOOQPO-JTQLQIEISA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 142653052
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
methyl 3-(6-bromo-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70304985
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The IUPAC name of ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate (CID 23652761) is ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate is CCOC(=O)CC[C@H]1CNc2ccc(OC)cc21.
What is the InChIKey of ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The InChIKey is RAWPJJUWKOOQPO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(16)7-4-10-9-15-13-6-5-11(17-2)8-12(10)13/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate?
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate has a molecular weight of 249.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate is sourced from PubChem (CID 23652761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).