methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride

C8H10Cl3NO2S — CID 68973814

IUPACmethyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H/t5-;/m0./s1
InChIKeyJOCRQCSBGWXYMK-JEDNCBNOSA-N
MW290.60 g/mol
LogP2.52
Rot. Bonds3

About methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride

methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride (PubChem CID 68973814) has the molecular formula C8H10Cl3NO2S and a molecular weight of 290.60 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
PubChem CID68973814
Molecular FormulaC8H10Cl3NO2S
Molecular Weight290.60 g/mol
Exact Mass288.95
IUPAC Namemethyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H/t5-;/m0./s1
InChIKeyJOCRQCSBGWXYMK-JEDNCBNOSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate
CID 171237941
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
methyl (2S)-2-amino-3-(4-amino-2-chloro-5-methylphenyl)propanoate
CID 171238553
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453
methyl 2-amino-3-(4-chloro-2-nitrophenyl)propanoate;hydrochloride
CID 155858941
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride (CID 68973814) is methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride is COC(=O)[C@@H](N)Cc1cc(Cl)sc1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The InChIKey is JOCRQCSBGWXYMK-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride has a molecular weight of 290.60 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 68973814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).