methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride

C12H14ClNO2S — CID 67676279

IUPACmethyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride
SMILESCOC(=O)[C@H](C)Nc1csc2ccccc12.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-8(12(14)15-2)13-10-7-16-11-6-4-3-5-9(10)11;/h3-8,13H,1-2H3;1H/t8-;/m0./s1
InChIKeyRKDRSSGNFAISCY-QRPNPIFTSA-N
MW271.77 g/mol
LogP3.30
Rot. Bonds3

About methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride

methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride (PubChem CID 67676279) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride
PubChem CID67676279
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Namemethyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride
SMILESCOC(=O)[C@H](C)Nc1csc2ccccc12.Cl
InChIInChI=1S/C12H13NO2S.ClH/c1-8(12(14)15-2)13-10-7-16-11-6-4-3-5-9(10)11;/h3-8,13H,1-2H3;1H/t8-;/m0./s1
InChIKeyRKDRSSGNFAISCY-QRPNPIFTSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride (CID 67676279) is methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride is COC(=O)[C@H](C)Nc1csc2ccccc12.Cl.
What is the InChIKey of methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride?
The InChIKey is RKDRSSGNFAISCY-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H13NO2S.ClH/c1-8(12(14)15-2)13-10-7-16-11-6-4-3-5-9(10)11;/h3-8,13H,1-2H3;1H/t8-;/m0./s1.
What are the key properties of methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride?
methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(1-benzothiophen-3-ylamino)propanoate;hydrochloride is sourced from PubChem (CID 67676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).