methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate

C10H11NO4 — CID 69030416

IUPACmethyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(CC(N)=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-3-2-6(5-9(11)13)8(12)4-7/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyDRXKCKFGEFBYSA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.21
Rot. Bonds3

About methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate

methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate (PubChem CID 69030416) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
PubChem CID69030416
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(CC(N)=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-3-2-6(5-9(11)13)8(12)4-7/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyDRXKCKFGEFBYSA-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-4-(2-methylpropyl)benzoate
CID 143575429
methyl 3-hydroxy-4-(methylsulfanylmethyl)benzoate
CID 13383875
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 3-hydroxy-4-(3-oxo-3-phenylpropyl)benzoate
CID 134845595
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
methyl 3-hydroxy-4-[(2-hydroxy-4-methoxycarbonylphenyl)disulfanyl]benzoate
CID 22351628
zinc methyl 3-hydroxy-4-sulfanylbenzoate
CID 22351831
methyl 3-hydroxy-4-(2-methylpropanoyl)benzoate
CID 134494903
methyl 4-(aminomethyl)-3-bromobenzoate
CID 53419661

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate?
The IUPAC name of methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate (CID 69030416) is methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate?
The canonical SMILES for methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate is COC(=O)c1ccc(CC(N)=O)c(O)c1.
What is the InChIKey of methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate?
The InChIKey is DRXKCKFGEFBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)7-3-2-6(5-9(11)13)8(12)4-7/h2-4,12H,5H2,1H3,(H2,11,13).
What are the key properties of methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate?
methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate is sourced from PubChem (CID 69030416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).