methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride

C20H18Cl3NO2 — CID 69119079

IUPACmethyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc2cc(-c3c(Cl)cccc3Cl)ccc2c1.Cl
InChIInChI=1S/C20H17Cl2NO2.ClH/c1-25-20(24)18(23)10-12-5-6-14-11-15(8-7-13(14)9-12)19-16(21)3-2-4-17(19)22;/h2-9,11,18H,10,23H2,1H3;1H
InChIKeyVWZJMQNHHVDHMP-UHFFFAOYSA-N
MW410.73 g/mol
LogP5.28
Rot. Bonds4

About methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride

methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride (PubChem CID 69119079) has the molecular formula C20H18Cl3NO2 and a molecular weight of 410.73 g/mol. Its IUPAC name is methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
PubChem CID69119079
Molecular FormulaC20H18Cl3NO2
Molecular Weight410.73 g/mol
Exact Mass409.04
IUPAC Namemethyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc2cc(-c3c(Cl)cccc3Cl)ccc2c1.Cl
InChIInChI=1S/C20H17Cl2NO2.ClH/c1-25-20(24)18(23)10-12-5-6-14-11-15(8-7-13(14)9-12)19-16(21)3-2-4-17(19)22;/h2-9,11,18H,10,23H2,1H3;1H
InChIKeyVWZJMQNHHVDHMP-UHFFFAOYSA-N
XLogP5.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl 2-amino-3-[4-(2-chlorophenyl)phenyl]propanoate
CID 90923119
methyl (2S)-2-amino-3-(3-bromo-4-chlorophenyl)propanoate;hydrochloride
CID 68768672
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl (2S)-2-amino-3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]phenyl]propanoate
CID 157478198
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride (CID 69119079) is methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride is COC(=O)C(N)Cc1ccc2cc(-c3c(Cl)cccc3Cl)ccc2c1.Cl.
What is the InChIKey of methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride?
The InChIKey is VWZJMQNHHVDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2.ClH/c1-25-20(24)18(23)10-12-5-6-14-11-15(8-7-13(14)9-12)19-16(21)3-2-4-17(19)22;/h2-9,11,18H,10,23H2,1H3;1H.
What are the key properties of methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride?
methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride has a molecular weight of 410.73 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride is sourced from PubChem (CID 69119079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).