methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride

C7H10ClNO2S — CID 70292713

IUPACmethyl 2-amino-2-thiophen-3-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1ccsc1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H
InChIKeyXDYFSPKLMCIDDL-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.34
Rot. Bonds2

About methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride

methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride (PubChem CID 70292713) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-thiophen-3-ylacetate;hydrochloride
PubChem CID70292713
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Namemethyl 2-amino-2-thiophen-3-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1ccsc1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H
InChIKeyXDYFSPKLMCIDDL-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(thiophen-3-yl)acetic acid
CID 102577
(S)-2-Amino-2-(thiophen-3-yl)acetic acid
CID 16220058
Methyl 2-amino-3-(thiophen-3-yl)propanoate
CID 19793487
Methyl 2-amino-3-(thiophen-3-yl)propanoate hydrochloride
CID 22608452
Methyl 2-amino-2-(thiophen-2-yl)acetate hydrochloride
CID 24212017
2-Amino-2-(thiophen-3-yl)acetic acid hydrochloride
CID 24729666
Ethyl 2-amino-3-(thiophen-3-yl)propanoate
CID 62963496
Methyl 2-amino-2-(5-bromothiophen-3-yl)acetate hydrochloride
CID 132353927
Butyl 2-amino-3-(thiophen-3-yl)propanoate hydrochloride
CID 138991089
methyl (3S)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171243218
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
Methyl (2S)-2-amino-2-(thiophen-2-YL)acetate
CID 7568219

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride (CID 70292713) is methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride is COC(=O)C(N)c1ccsc1.Cl.
What is the InChIKey of methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride?
The InChIKey is XDYFSPKLMCIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H.
What are the key properties of methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride?
methyl 2-amino-2-thiophen-3-ylacetate;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.34, 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-thiophen-3-ylacetate;hydrochloride is sourced from PubChem (CID 70292713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).