2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid

C12H15NO5 — CID 79456992

IUPAC2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
SMILESCc1ccc(O)c(C(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-8-2-3-10(14)9(6-8)12(17)13-4-5-18-7-11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyGNMAVNZHLNCNRR-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.53
Rot. Bonds6

About 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid

2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid (PubChem CID 79456992) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
PubChem CID79456992
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
SMILESCc1ccc(O)c(C(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-8-2-3-10(14)9(6-8)12(17)13-4-5-18-7-11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyGNMAVNZHLNCNRR-UHFFFAOYSA-N
XLogP0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid (CID 79456992) is 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid is Cc1ccc(O)c(C(=O)NCCOCC(=O)O)c1.
What is the InChIKey of 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid?
The InChIKey is GNMAVNZHLNCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8-2-3-10(14)9(6-8)12(17)13-4-5-18-7-11(15)16/h2-3,6,14H,4-5,7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid?
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79456992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).