2-(2-amino-2-oxoethoxy)benzoic acid

C9H9NO4 — CID 967324

IUPAC2-(2-amino-2-oxoethoxy)benzoic acid
SMILESNC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C9H9NO4/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKeyUKHQVRKUAZGYQM-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.25
Rot. Bonds4

About 2-(2-amino-2-oxoethoxy)benzoic acid

2-(2-amino-2-oxoethoxy)benzoic acid (PubChem CID 967324) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)benzoic acid
PubChem CID967324
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(2-amino-2-oxoethoxy)benzoic acid
SMILESNC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C9H9NO4/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKeyUKHQVRKUAZGYQM-UHFFFAOYSA-N
XLogP0.25
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-(2-amino-2-oxoethoxy)benzoic acid (CID 967324) is 2-(2-amino-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)benzoic acid is NC(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)benzoic acid?
The InChIKey is UKHQVRKUAZGYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13).
What are the key properties of 2-(2-amino-2-oxoethoxy)benzoic acid?
2-(2-amino-2-oxoethoxy)benzoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 967324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).