2-amino-2-thiophen-2-ylacetic acid;hydrochloride

C6H8ClNO2S — CID 69120250

IUPAC2-amino-2-thiophen-2-ylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cccs1
InChIInChI=1S/C6H7NO2S.ClH/c7-5(6(8)9)4-2-1-3-10-4;/h1-3,5H,7H2,(H,8,9);1H
InChIKeyPZUJOPZKYOFXEO-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-2-thiophen-2-ylacetic acid;hydrochloride

2-amino-2-thiophen-2-ylacetic acid;hydrochloride (PubChem CID 69120250) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-thiophen-2-ylacetic acid;hydrochloride
PubChem CID69120250
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name2-amino-2-thiophen-2-ylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cccs1
InChIInChI=1S/C6H7NO2S.ClH/c7-5(6(8)9)4-2-1-3-10-4;/h1-3,5H,7H2,(H,8,9);1H
InChIKeyPZUJOPZKYOFXEO-UHFFFAOYSA-N
XLogP1.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
CID 146264588
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
2-(diaminomethylideneamino)-2-thiophen-2-ylacetic acid
CID 138683337
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
CID 115286894
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
CID 113353099
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
CID 114005146

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-ylacetic acid;hydrochloride?
The IUPAC name of 2-amino-2-thiophen-2-ylacetic acid;hydrochloride (CID 69120250) is 2-amino-2-thiophen-2-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-thiophen-2-ylacetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-thiophen-2-ylacetic acid;hydrochloride is Cl.NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-amino-2-thiophen-2-ylacetic acid;hydrochloride?
The InChIKey is PZUJOPZKYOFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c7-5(6(8)9)4-2-1-3-10-4;/h1-3,5H,7H2,(H,8,9);1H.
What are the key properties of 2-amino-2-thiophen-2-ylacetic acid;hydrochloride?
2-amino-2-thiophen-2-ylacetic acid;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-2-ylacetic acid;hydrochloride is sourced from PubChem (CID 69120250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).