2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid

C11H13NO5 — CID 24711323

IUPAC2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1ccc(C(=O)N(C)CC(=O)O)c(O)c1
InChIInChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)8-4-3-7(17-2)5-9(8)13/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyUROQDDBIVUWTOO-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.56
Rot. Bonds4

About 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid

2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid (PubChem CID 24711323) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
PubChem CID24711323
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1ccc(C(=O)N(C)CC(=O)O)c(O)c1
InChIInChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)8-4-3-7(17-2)5-9(8)13/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyUROQDDBIVUWTOO-UHFFFAOYSA-N
XLogP0.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 60784042
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 63223234

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid (CID 24711323) is 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid is COc1ccc(C(=O)N(C)CC(=O)O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid?
The InChIKey is UROQDDBIVUWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)8-4-3-7(17-2)5-9(8)13/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid?
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 24711323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).