methyl 4-formamido-3-hydroxybenzoate

C9H9NO4 — CID 91622889

IUPACmethyl 4-formamido-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC=O)c(O)c1
InChIInChI=1S/C9H9NO4/c1-14-9(13)6-2-3-7(10-5-11)8(12)4-6/h2-5,12H,1H3,(H,10,11)
InChIKeyCEQZNFLHWCUANG-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.75
Rot. Bonds3

About methyl 4-formamido-3-hydroxybenzoate

methyl 4-formamido-3-hydroxybenzoate (PubChem CID 91622889) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is methyl 4-formamido-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-formamido-3-hydroxybenzoate
PubChem CID91622889
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Namemethyl 4-formamido-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC=O)c(O)c1
InChIInChI=1S/C9H9NO4/c1-14-9(13)6-2-3-7(10-5-11)8(12)4-6/h2-5,12H,1H3,(H,10,11)
InChIKeyCEQZNFLHWCUANG-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-formamido-3-hydroxybenzoic acid
CID 56997255
methyl 3-tert-butyl-4-formamidobenzoate
CID 168652003
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
methyl 4-bromo-3-formamidobenzoate
CID 122687075
methyl 4-formamido-3-(oxetan-3-yloxy)benzoate
CID 166513182
methyl 3-formamido-4-propoxybenzoate
CID 135191960
methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
CID 108744837
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
methyl 4-(diethylcarbamoylamino)-3-hydroxybenzoate
CID 108744866
methyl 3-hydroxy-4-[(2-hydroxy-4-methoxycarbonylphenyl)disulfanyl]benzoate
CID 22351628
zinc methyl 3-hydroxy-4-sulfanylbenzoate
CID 22351831

Frequently Asked Questions

What is the IUPAC name of methyl 4-formamido-3-hydroxybenzoate?
The IUPAC name of methyl 4-formamido-3-hydroxybenzoate (CID 91622889) is methyl 4-formamido-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-formamido-3-hydroxybenzoate?
The canonical SMILES for methyl 4-formamido-3-hydroxybenzoate is COC(=O)c1ccc(NC=O)c(O)c1.
What is the InChIKey of methyl 4-formamido-3-hydroxybenzoate?
The InChIKey is CEQZNFLHWCUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-9(13)6-2-3-7(10-5-11)8(12)4-6/h2-5,12H,1H3,(H,10,11).
What are the key properties of methyl 4-formamido-3-hydroxybenzoate?
methyl 4-formamido-3-hydroxybenzoate has a molecular weight of 195.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamido-3-hydroxybenzoate is sourced from PubChem (CID 91622889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).