methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate

C15H16N2O3 — CID 175087674

IUPACmethyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate
SMILESC#CCOc1ccc2[nH]c(N)c(CCC(=O)OC)c2c1
InChIInChI=1S/C15H16N2O3/c1-3-8-20-10-4-6-13-12(9-10)11(15(16)17-13)5-7-14(18)19-2/h1,4,6,9,17H,5,7-8,16H2,2H3
InChIKeyGWHPNEDQCTVQBS-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.87
Rot. Bonds5

About methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate

methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate (PubChem CID 175087674) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate
PubChem CID175087674
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate
SMILESC#CCOc1ccc2[nH]c(N)c(CCC(=O)OC)c2c1
InChIInChI=1S/C15H16N2O3/c1-3-8-20-10-4-6-13-12(9-10)11(15(16)17-13)5-7-14(18)19-2/h1,4,6,9,17H,5,7-8,16H2,2H3
InChIKeyGWHPNEDQCTVQBS-UHFFFAOYSA-N
XLogP1.87
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-2-(5-prop-2-ynoxy-1H-indol-3-yl)acetate
CID 15505469
methyl 3-(2-methyl-5-nitro-1H-indol-4-yl)propanoate
CID 67793695
methyl 2-hydroxy-5-prop-2-ynoxybenzoate
CID 10081702
2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
CID 46708037
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
methyl 2-(bromomethyl)-4-prop-2-ynoxybenzoate
CID 156508031
3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
CID 168834316
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
methyl 3-(5-methoxyfuran-2-yl)propanoate
CID 13149551
[3-(3-methoxy-3-oxopropyl)-1H-indol-2-yl]-trimethylazanium iodide
CID 45049272
methyl 2-amino-3-(4-prop-2-ynoxyphenyl)propanoate
CID 61299171
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate?
The IUPAC name of methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate (CID 175087674) is methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate is C#CCOc1ccc2[nH]c(N)c(CCC(=O)OC)c2c1.
What is the InChIKey of methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate?
The InChIKey is GWHPNEDQCTVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-8-20-10-4-6-13-12(9-10)11(15(16)17-13)5-7-14(18)19-2/h1,4,6,9,17H,5,7-8,16H2,2H3.
What are the key properties of methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate?
methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-5-prop-2-ynoxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 175087674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).