2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid

C12H15NO5 — CID 62590216

IUPAC2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
SMILESCOCCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO5/c1-18-7-6-11(15)13(8-12(16)17)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,16,17)
InChIKeyJDYWHWFMOGJZGY-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.85
Rot. Bonds6

About 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid

2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid (PubChem CID 62590216) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
PubChem CID62590216
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
SMILESCOCCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO5/c1-18-7-6-11(15)13(8-12(16)17)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,16,17)
InChIKeyJDYWHWFMOGJZGY-UHFFFAOYSA-N
XLogP0.85
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
CID 60830275
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
CID 61181285
2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
CID 60831129
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid (CID 62590216) is 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid is COCCC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid?
The InChIKey is JDYWHWFMOGJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-18-7-6-11(15)13(8-12(16)17)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid?
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid is sourced from PubChem (CID 62590216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).