ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride

C16H20ClNO3 — CID 2945823

IUPACethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-3-20-16(18)10-14(17)12-8-9-15(19-2)13-7-5-4-6-11(12)13;/h4-9,14H,3,10,17H2,1-2H3;1H
InChIKeyIRDQVLVJFKXQHW-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.22
Rot. Bonds5

About ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride

ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride (PubChem CID 2945823) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
PubChem CID2945823
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Nameethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)CC(N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-3-20-16(18)10-14(17)12-8-9-15(19-2)13-7-5-4-6-11(12)13;/h4-9,14H,3,10,17H2,1-2H3;1H
InChIKeyIRDQVLVJFKXQHW-UHFFFAOYSA-N
XLogP3.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
ethyl (3R)-3-amino-3-(4-bromo-2-methoxyphenyl)propanoate;hydrochloride
CID 171204821
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride (CID 2945823) is ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride is CCOC(=O)CC(N)c1ccc(OC)c2ccccc12.Cl.
What is the InChIKey of ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
The InChIKey is IRDQVLVJFKXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-3-20-16(18)10-14(17)12-8-9-15(19-2)13-7-5-4-6-11(12)13;/h4-9,14H,3,10,17H2,1-2H3;1H.
What are the key properties of ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride?
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 2945823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).