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

C8H9Cl2NO2S — CID 130649226

IUPACmethyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-8(11,7(12)13-2)4-3-5(9)14-6(4)10/h3H,11H2,1-2H3/t8-/m0/s1
InChIKeyNMWNHRGDADZZPB-QMMMGPOBSA-N
MW254.14 g/mol
LogP2.40
Rot. Bonds2

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

methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate (PubChem CID 130649226) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate
PubChem CID130649226
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Namemethyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-8(11,7(12)13-2)4-3-5(9)14-6(4)10/h3H,11H2,1-2H3/t8-/m0/s1
InChIKeyNMWNHRGDADZZPB-QMMMGPOBSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate
CID 168975344
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate
CID 131172107
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
CID 68973814
(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile
CID 130676192
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl (2S)-2-amino-2-(2-nitrophenyl)propanoate
CID 175893615

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate?
The IUPAC name of methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate (CID 130649226) is methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate is COC(=O)[C@@](C)(N)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate?
The InChIKey is NMWNHRGDADZZPB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-8(11,7(12)13-2)4-3-5(9)14-6(4)10/h3H,11H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate?
methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate has a molecular weight of 254.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate is sourced from PubChem (CID 130649226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).