2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid

C11H13NO5 — CID 61276951

IUPAC2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
SMILESCOCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c1-17-7-10(14)12(6-11(15)16)8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,15,16)
InChIKeyICKMLYQLTSCPPF-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.46
Rot. Bonds5

About 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid

2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid (PubChem CID 61276951) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
PubChem CID61276951
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
SMILESCOCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c1-17-7-10(14)12(6-11(15)16)8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,15,16)
InChIKeyICKMLYQLTSCPPF-UHFFFAOYSA-N
XLogP0.46
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
CID 61181285
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
CID 102198875
2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
CID 60830275
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
CID 60831129
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid (CID 61276951) is 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid is COCC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid?
The InChIKey is ICKMLYQLTSCPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-17-7-10(14)12(6-11(15)16)8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid?
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.46, 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-methoxyacetyl)anilino)acetic acid is sourced from PubChem (CID 61276951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).