3-(2-amino-2-oxoethoxy)benzoic acid

C9H9NO4 — CID 961591

IUPAC3-(2-amino-2-oxoethoxy)benzoic acid
SMILESNC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKeyIEVCYNDPZXZQBM-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.25
Rot. Bonds4

About 3-(2-amino-2-oxoethoxy)benzoic acid

3-(2-amino-2-oxoethoxy)benzoic acid (PubChem CID 961591) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)benzoic acid
PubChem CID961591
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-(2-amino-2-oxoethoxy)benzoic acid
SMILESNC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKeyIEVCYNDPZXZQBM-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

Analyze 3-(2-amino-2-oxoethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(Z)-3-chloro-2-methylprop-2-enoxy]benzoic acid
CID 106436639
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
potassium;hydride;2-phenoxyacetamide
CID 175513799
3-[2-[(2-amino-2-oxoethyl)-methylamino]ethoxy]benzoic acid
CID 43532655
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-(2-amino-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 35743593
2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920903
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)benzoic acid?
The IUPAC name of 3-(2-amino-2-oxoethoxy)benzoic acid (CID 961591) is 3-(2-amino-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)benzoic acid?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)benzoic acid is NC(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)benzoic acid?
The InChIKey is IEVCYNDPZXZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13).
What are the key properties of 3-(2-amino-2-oxoethoxy)benzoic acid?
3-(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 3-(2-amino-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 961591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).