(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate

C10H11NO4 — CID 2469983

IUPAC(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(N)=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6-2-3-7(8(12)4-6)10(14)15-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyGSQJKQBTMINGMR-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.34
Rot. Bonds3

About (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate

(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate (PubChem CID 2469983) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
PubChem CID2469983
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(N)=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6-2-3-7(8(12)4-6)10(14)15-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyGSQJKQBTMINGMR-UHFFFAOYSA-N
XLogP0.34
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567601
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575
amino 2-hydroxy-4-methylbenzoate
CID 174368722
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-hydroxy-4-methylbenzoate
CID 2611794
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-4-methylbenzoate
CID 7568498
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567867

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate (CID 2469983) is (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(N)=O)c(O)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The InChIKey is GSQJKQBTMINGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-2-3-7(8(12)4-6)10(14)15-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13).
What are the key properties of (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2469983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).