4-[(2-methoxy-2-oxoethyl)amino]benzoic acid

C10H11NO4 — CID 898305

IUPAC4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
SMILESCOC(=O)CNc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-15-9(12)6-11-8-4-2-7(3-5-8)10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyVFVUJOLENLODRA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.97
Rot. Bonds4

About 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid

4-[(2-methoxy-2-oxoethyl)amino]benzoic acid (PubChem CID 898305) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
PubChem CID898305
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
SMILESCOC(=O)CNc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-15-9(12)6-11-8-4-2-7(3-5-8)10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyVFVUJOLENLODRA-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 4-(hydroxymethylamino)benzoic acid
CID 54612470
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
CID 43427641
sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid
CID 173439901
4-(methoxyamino)benzoic acid
CID 58668568
4-(4-methoxybutylamino)benzoic acid
CID 62232205
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
CID 1381394
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
CID 94631757
bis(4-(ethylamino)benzoic acid);propane-1,3-diol
CID 175444404
4-(methylsulfonylmethylamino)benzoic acid
CID 22346223
4-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854970
methyl 2-(3-tert-butyl-4-methoxyanilino)acetate
CID 115232645

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid (CID 898305) is 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid is COC(=O)CNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid?
The InChIKey is VFVUJOLENLODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9(12)6-11-8-4-2-7(3-5-8)10(13)14/h2-5,11H,6H2,1H3,(H,13,14).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid?
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)amino]benzoic acid is sourced from PubChem (CID 898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).