2-acetamido-4-hydroxybenzoic acid

C9H9NO4 — CID 18452830

IUPAC2-acetamido-4-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(O)ccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-5(11)10-8-4-6(12)2-3-7(8)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKeyNFYYFDXVGWRTHV-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.05
Rot. Bonds2

About 2-acetamido-4-hydroxybenzoic acid

2-acetamido-4-hydroxybenzoic acid (PubChem CID 18452830) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-acetamido-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-acetamido-4-hydroxybenzoic acid
PubChem CID18452830
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-acetamido-4-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(O)ccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-5(11)10-8-4-6(12)2-3-7(8)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKeyNFYYFDXVGWRTHV-UHFFFAOYSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
CID 170843062
CID 170843062
2-acetamido-4-methoxycarbonylbenzoic acid
CID 131862461
4-hydroxy-2-[3-(2-hydroxyphenyl)prop-2-enoylamino]benzoic acid
CID 73175506
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
4-hydroxyphthalic acid;hydrate
CID 171991193
2,4-dihydroxybenzoic acid
CID 1491
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-hydroxybenzoic acid?
The IUPAC name of 2-acetamido-4-hydroxybenzoic acid (CID 18452830) is 2-acetamido-4-hydroxybenzoic acid.
What is the SMILES notation for 2-acetamido-4-hydroxybenzoic acid?
The canonical SMILES for 2-acetamido-4-hydroxybenzoic acid is CC(=O)Nc1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-acetamido-4-hydroxybenzoic acid?
The InChIKey is NFYYFDXVGWRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5(11)10-8-4-6(12)2-3-7(8)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-acetamido-4-hydroxybenzoic acid?
2-acetamido-4-hydroxybenzoic acid has a molecular weight of 195.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-hydroxybenzoic acid is sourced from PubChem (CID 18452830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).