methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride

C11H12ClNO2S — CID 68972931

IUPACmethyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1csc2ccccc12.Cl
InChIInChI=1S/C11H11NO2S.ClH/c1-14-11(13)10(12)8-6-15-9-5-3-2-4-7(8)9;/h2-6,10H,12H2,1H3;1H
InChIKeyAOGVAIOVDTZPBB-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.50
Rot. Bonds2

About methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride

methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride (PubChem CID 68972931) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
PubChem CID68972931
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Namemethyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1csc2ccccc12.Cl
InChIInChI=1S/C11H11NO2S.ClH/c1-14-11(13)10(12)8-6-15-9-5-3-2-4-7(8)9;/h2-6,10H,12H2,1H3;1H
InChIKeyAOGVAIOVDTZPBB-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
CID 116849870
methyl (2R,3S)-3-(1-benzothiophen-3-yl)-2-(methylamino)butanoate
CID 143382265
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065
methyl 2-(1-benzothiophen-3-yl)-2-(butan-2-ylamino)acetate
CID 62699825
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride (CID 68972931) is methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride is COC(=O)C(N)c1csc2ccccc12.Cl.
What is the InChIKey of methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride?
The InChIKey is AOGVAIOVDTZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S.ClH/c1-14-11(13)10(12)8-6-15-9-5-3-2-4-7(8)9;/h2-6,10H,12H2,1H3;1H.
What are the key properties of methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride?
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride is sourced from PubChem (CID 68972931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).