ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate

C17H24N2O3 — CID 143559171

IUPACethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)c1cc2cc(N)ccc2n1CCO
InChIInChI=1S/C17H24N2O3/c1-4-22-16(21)11-17(2,3)15-10-12-9-13(18)5-6-14(12)19(15)7-8-20/h5-6,9-10,20H,4,7-8,11,18H2,1-3H3
InChIKeyYIPOYSPTEAWQBD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.45
Rot. Bonds6

About ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate

ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate (PubChem CID 143559171) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate
PubChem CID143559171
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)c1cc2cc(N)ccc2n1CCO
InChIInChI=1S/C17H24N2O3/c1-4-22-16(21)11-17(2,3)15-10-12-9-13(18)5-6-14(12)19(15)7-8-20/h5-6,9-10,20H,4,7-8,11,18H2,1-3H3
InChIKeyYIPOYSPTEAWQBD-UHFFFAOYSA-N
XLogP2.45
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(5-amino-2-tert-butylindol-1-yl)propoxy]propan-2-ol
CID 118041662
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CID 62493612
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
ethyl 5-aminoindazole-1-carboxylate
CID 119086804
ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
CID 135137752
ethyl 3-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080213
2-[2-(5-amino-2-methylphenyl)benzimidazol-1-yl]ethanol
CID 63652268
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one
CID 112534151
2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide
CID 135137766
ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
CID 64577977
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate?
The IUPAC name of ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate (CID 143559171) is ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate.
What is the SMILES notation for ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate?
The canonical SMILES for ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate is CCOC(=O)CC(C)(C)c1cc2cc(N)ccc2n1CCO.
What is the InChIKey of ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate?
The InChIKey is YIPOYSPTEAWQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-22-16(21)11-17(2,3)15-10-12-9-13(18)5-6-14(12)19(15)7-8-20/h5-6,9-10,20H,4,7-8,11,18H2,1-3H3.
What are the key properties of ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate?
ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate has a molecular weight of 304.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate is sourced from PubChem (CID 143559171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).