4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid

C9H9NO5 — CID 54434813

IUPAC4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
SMILESNCC(=O)Oc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C9H9NO5/c10-4-8(12)15-5-1-2-6(9(13)14)7(11)3-5/h1-3,11H,4,10H2,(H,13,14)
InChIKeyWJZKZPHTDSTHKC-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.05
Rot. Bonds3

About 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid

4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid (PubChem CID 54434813) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
PubChem CID54434813
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
SMILESNCC(=O)Oc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C9H9NO5/c10-4-8(12)15-5-1-2-6(9(13)14)7(11)3-5/h1-3,11H,4,10H2,(H,13,14)
InChIKeyWJZKZPHTDSTHKC-UHFFFAOYSA-N
XLogP-0.05
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-(1-sulfonylpropoxy)benzoic acid
CID 19105944
2,4-dihydroxybenzoic acid
CID 1491
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
[3-hydroxy-4-(2-methylpropanoyl)phenyl] 2-chloroacetate
CID 162676494

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid?
The IUPAC name of 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid (CID 54434813) is 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid is NCC(=O)Oc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid?
The InChIKey is WJZKZPHTDSTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c10-4-8(12)15-5-1-2-6(9(13)14)7(11)3-5/h1-3,11H,4,10H2,(H,13,14).
What are the key properties of 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid?
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid has a molecular weight of 211.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid is sourced from PubChem (CID 54434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).