ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride

C14H19ClN2O3 — CID 171199762

IUPACethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-3-19-14(17)7-12(15)11-8-16-13-5-4-9(18-2)6-10(11)13;/h4-6,8,12,16H,3,7,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeySNUJRKSFMUCWFY-UTONKHPSSA-N
MW298.77 g/mol
LogP2.55
Rot. Bonds5

About ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride

ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride (PubChem CID 171199762) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
PubChem CID171199762
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nameethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-3-19-14(17)7-12(15)11-8-16-13-5-4-9(18-2)6-10(11)13;/h4-6,8,12,16H,3,7,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeySNUJRKSFMUCWFY-UTONKHPSSA-N
XLogP2.55
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
methyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171239452

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride (CID 171199762) is ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride is CCOC(=O)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride?
The InChIKey is SNUJRKSFMUCWFY-UTONKHPSSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-3-19-14(17)7-12(15)11-8-16-13-5-4-9(18-2)6-10(11)13;/h4-6,8,12,16H,3,7,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride?
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 171199762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).