2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid

C14H13NO4S — CID 60831129

IUPAC2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccsc1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO4S/c16-12-3-1-11(2-4-12)15(8-14(18)19)13(17)7-10-5-6-20-9-10/h1-6,9,16H,7-8H2,(H,18,19)
InChIKeyWQVSTKUBMIUZDG-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid

2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid (PubChem CID 60831129) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
PubChem CID60831129
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccsc1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO4S/c16-12-3-1-11(2-4-12)15(8-14(18)19)13(17)7-10-5-6-20-9-10/h1-6,9,16H,7-8H2,(H,18,19)
InChIKeyWQVSTKUBMIUZDG-UHFFFAOYSA-N
XLogP2.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
CID 60830275
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 62822072
N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid (CID 60831129) is 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid is O=C(O)CN(C(=O)Cc1ccsc1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid?
The InChIKey is WQVSTKUBMIUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-12-3-1-11(2-4-12)15(8-14(18)19)13(17)7-10-5-6-20-9-10/h1-6,9,16H,7-8H2,(H,18,19).
What are the key properties of 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid?
2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid has a molecular weight of 291.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid is sourced from PubChem (CID 60831129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).