2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride

C8H12ClNO2S — CID 50988795

IUPAC2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCCc1cccs1
InChIInChI=1S/C8H11NO2S.ClH/c10-8(11)6-9-4-3-7-2-1-5-12-7;/h1-2,5,9H,3-4,6H2,(H,10,11);1H
InChIKeyJXAJPQUGJYMUKQ-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.39
Rot. Bonds5

About 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride

2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride (PubChem CID 50988795) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
PubChem CID50988795
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCCc1cccs1
InChIInChI=1S/C8H11NO2S.ClH/c10-8(11)6-9-4-3-7-2-1-5-12-7;/h1-2,5,9H,3-4,6H2,(H,10,11);1H
InChIKeyJXAJPQUGJYMUKQ-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride (CID 50988795) is 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride is Cl.O=C(O)CNCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The InChIKey is JXAJPQUGJYMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c10-8(11)6-9-4-3-7-2-1-5-12-7;/h1-2,5,9H,3-4,6H2,(H,10,11);1H.
What are the key properties of 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 50988795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).