2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid

C16H15NO4 — CID 60831615

IUPAC2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)17(10-15(19)20)16(21)13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyUURCXYFXWOWCRY-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.43
Rot. Bonds4

About 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid

2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid (PubChem CID 60831615) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
PubChem CID60831615
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)17(10-15(19)20)16(21)13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyUURCXYFXWOWCRY-UHFFFAOYSA-N
XLogP2.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-N-(2-hydroxybenzoyl)anilino)acetic acid
CID 44563691
2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
CID 107095859
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
CID 104741894
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
CID 60831784
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
CID 835182
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid (CID 60831615) is 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid?
The InChIKey is UURCXYFXWOWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)17(10-15(19)20)16(21)13-4-2-3-5-14(13)18/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid?
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 60831615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).