2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride

C7H10ClNO2S — CID 82126580

IUPAC2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCC(N)(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-7(8,6(9)10)5-3-2-4-11-5;/h2-4H,8H2,1H3,(H,9,10);1H
InChIKeyYPXIDZAKPUZXMY-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.43
Rot. Bonds2

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

2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride (PubChem CID 82126580) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride
PubChem CID82126580
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCC(N)(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-7(8,6(9)10)5-3-2-4-11-5;/h2-4H,8H2,1H3,(H,9,10);1H
InChIKeyYPXIDZAKPUZXMY-UHFFFAOYSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiopheneacetic acid, alpha-amino-, (-)-
CID 89435
Methyl 2-amino-2-(thiophen-2-yl)acetate hydrochloride
CID 24212017
(R)-2-Thienylglycine
CID 736058
(S)-2-Thienylglycine
CID 736059
(Methylamino)(2-Thienyl)Acetic Acid Hydrochloride
CID 50944369
2-(Dimethylamino)-2-(thiophen-2-yl)propanoic acid
CID 54776076
Methyl (2S)-2-amino-2-(thiophen-2-YL)acetate
CID 7568219
Threo-thienylserine
CID 22572131
(2S)-2-Amino-2-(thiophen-2-YL)propanoic acid
CID 36689906
(2R)-2-amino-2-thiophen-3-ylpropanoic acid
CID 57268560
Methyl 2-amino-2-(thiophen-2-yl)acetate
CID 13848532
2-Amino-2-(5-methylthiophen-2-yl)acetic acid
CID 581054

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride (CID 82126580) is 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride is CC(N)(C(=O)O)c1cccs1.Cl.
What is the InChIKey of 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride?
The InChIKey is YPXIDZAKPUZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-7(8,6(9)10)5-3-2-4-11-5;/h2-4H,8H2,1H3,(H,9,10);1H.
What are the key properties of 2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride?
2-amino-2-thiophen-2-ylpropanoic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.43, 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-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 82126580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).