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

C8H11NO2S — CID 28888414

IUPAC2-(2-thiophen-2-ylethylamino)acetic acid
SMILESO=C(O)CNCCc1cccs1
InChIInChI=1S/C8H11NO2S/c10-8(11)6-9-4-3-7-2-1-5-12-7/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyIVBZZWVZCBAMLG-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.96
Rot. Bonds5

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

2-(2-thiophen-2-ylethylamino)acetic acid (PubChem CID 28888414) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)acetic acid
PubChem CID28888414
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(2-thiophen-2-ylethylamino)acetic acid
SMILESO=C(O)CNCCc1cccs1
InChIInChI=1S/C8H11NO2S/c10-8(11)6-9-4-3-7-2-1-5-12-7/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyIVBZZWVZCBAMLG-UHFFFAOYSA-N
XLogP0.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.96
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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Related Compounds

5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
CID 60695451
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
3-[2-[4-(2-thiophen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121591
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)acetic acid?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)acetic acid (CID 28888414) is 2-(2-thiophen-2-ylethylamino)acetic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)acetic acid?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)acetic acid is O=C(O)CNCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)acetic acid?
The InChIKey is IVBZZWVZCBAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8(11)6-9-4-3-7-2-1-5-12-7/h1-2,5,9H,3-4,6H2,(H,10,11).
What are the key properties of 2-(2-thiophen-2-ylethylamino)acetic acid?
2-(2-thiophen-2-ylethylamino)acetic acid has a molecular weight of 185.25 g/mol, XLogP of 0.96, 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 is sourced from PubChem (CID 28888414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).