ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride

C13H17ClN2O2 — CID 78166336

IUPACethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1c[nH]c2ccc(C)cc12.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-3-17-13(16)12(14)10-7-15-11-5-4-8(2)6-9(10)11;/h4-7,12,15H,3,14H2,1-2H3;1H
InChIKeyFPVZSXHFNLPKFQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.46
Rot. Bonds3

About ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride

ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride (PubChem CID 78166336) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
PubChem CID78166336
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nameethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1c[nH]c2ccc(C)cc12.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-3-17-13(16)12(14)10-7-15-11-5-4-8(2)6-9(10)11;/h4-7,12,15H,3,14H2,1-2H3;1H
InChIKeyFPVZSXHFNLPKFQ-UHFFFAOYSA-N
XLogP2.46
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1H-indol-3-yl)hexanoic acid
CID 142468464
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
ethyl 2-(5-methylsulfanyl-1H-indol-3-yl)butanoate
CID 102584292
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
ethyl 2-(5-acetamido-1H-indol-3-yl)butanoate
CID 102584291
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride (CID 78166336) is ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride is CCOC(=O)C(N)c1c[nH]c2ccc(C)cc12.Cl.
What is the InChIKey of ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride?
The InChIKey is FPVZSXHFNLPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-3-17-13(16)12(14)10-7-15-11-5-4-8(2)6-9(10)11;/h4-7,12,15H,3,14H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride?
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride is sourced from PubChem (CID 78166336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).