(2-carbamoyl-5-hydroxyphenyl) acetate

C9H9NO4 — CID 11790105

IUPAC(2-carbamoyl-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)ccc1C(N)=O
InChIInChI=1S/C9H9NO4/c1-5(11)14-8-4-6(12)2-3-7(8)9(10)13/h2-4,12H,1H3,(H2,10,13)
InChIKeyJRRQGGMCHAHGAB-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.42
Rot. Bonds2

About (2-carbamoyl-5-hydroxyphenyl) acetate

(2-carbamoyl-5-hydroxyphenyl) acetate (PubChem CID 11790105) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2-carbamoyl-5-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(2-carbamoyl-5-hydroxyphenyl) acetate
PubChem CID11790105
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2-carbamoyl-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)ccc1C(N)=O
InChIInChI=1S/C9H9NO4/c1-5(11)14-8-4-6(12)2-3-7(8)9(10)13/h2-4,12H,1H3,(H2,10,13)
InChIKeyJRRQGGMCHAHGAB-UHFFFAOYSA-N
XLogP0.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-hydroxy-2-methylphenyl) carbamate
CID 68724844
(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid
CID 6453966
(3-acetyloxy-4-methylphenyl) acetate;4-methylbenzene-1,3-diol
CID 157361976
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
[2-carbamoyl-5-(2-cyanoaziridin-1-yl)phenyl] acetate
CID 90941287
2-bromo-4-hydroxybenzamide
CID 103693582
[3-acetyloxy-4-(2,4-dihydroxybenzenecarboximidoyl)phenyl] acetate;hydrochloride
CID 137187105
[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
CID 164597980
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
[3-acetyloxy-4-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]phenyl] acetate
CID 6000615
2-chloro-5-hydroxybenzamide
CID 57422942

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-5-hydroxyphenyl) acetate?
The IUPAC name of (2-carbamoyl-5-hydroxyphenyl) acetate (CID 11790105) is (2-carbamoyl-5-hydroxyphenyl) acetate.
What is the SMILES notation for (2-carbamoyl-5-hydroxyphenyl) acetate?
The canonical SMILES for (2-carbamoyl-5-hydroxyphenyl) acetate is CC(=O)Oc1cc(O)ccc1C(N)=O.
What is the InChIKey of (2-carbamoyl-5-hydroxyphenyl) acetate?
The InChIKey is JRRQGGMCHAHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5(11)14-8-4-6(12)2-3-7(8)9(10)13/h2-4,12H,1H3,(H2,10,13).
What are the key properties of (2-carbamoyl-5-hydroxyphenyl) acetate?
(2-carbamoyl-5-hydroxyphenyl) acetate has a molecular weight of 195.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-5-hydroxyphenyl) acetate is sourced from PubChem (CID 11790105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).