methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride

C10H12Cl3NO2 — CID 68772138

IUPACmethyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H
InChIKeyNOTFEHXAVUQWDQ-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride

methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride (PubChem CID 68772138) has the molecular formula C10H12Cl3NO2 and a molecular weight of 284.57 g/mol. Its IUPAC name is methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
PubChem CID68772138
Molecular FormulaC10H12Cl3NO2
Molecular Weight284.57 g/mol
Exact Mass282.99
IUPAC Namemethyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H
InChIKeyNOTFEHXAVUQWDQ-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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 (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-2-chlorobenzoic acid
CID 171238463
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
methyl (2R)-2-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171238216
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl (3S)-3-amino-4-(3,4-dichlorophenyl)butanoate
CID 68773139
methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride (CID 68772138) is methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride is COC(=O)C(N)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride?
The InChIKey is NOTFEHXAVUQWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride?
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride has a molecular weight of 284.57 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 68772138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).