2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid

C14H15NO3S — CID 84748436

IUPAC2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(NCCc1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C14H15NO3S/c16-12-3-1-10(2-4-12)5-7-15-13(14(17)18)11-6-8-19-9-11/h1-4,6,8-9,13,15-16H,5,7H2,(H,17,18)
InChIKeyXBYMLGMNESMMAQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid

2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid (PubChem CID 84748436) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid
PubChem CID84748436
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(NCCc1ccc(O)cc1)c1ccsc1
InChIInChI=1S/C14H15NO3S/c16-12-3-1-10(2-4-12)5-7-15-13(14(17)18)11-6-8-19-9-11/h1-4,6,8-9,13,15-16H,5,7H2,(H,17,18)
InChIKeyXBYMLGMNESMMAQ-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
CID 61002802
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
CID 84746879
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189404
2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-thiophen-3-ylacetic acid
CID 18793946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid (CID 84748436) is 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid is O=C(O)C(NCCc1ccc(O)cc1)c1ccsc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid?
The InChIKey is XBYMLGMNESMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-12-3-1-10(2-4-12)5-7-15-13(14(17)18)11-6-8-19-9-11/h1-4,6,8-9,13,15-16H,5,7H2,(H,17,18).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid?
2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid has a molecular weight of 277.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 84748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).