3-(ethoxycarbonylamino)benzoic acid

C10H11NO4 — CID 717662

IUPAC3-(ethoxycarbonylamino)benzoic acid
SMILESCCOC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-4-7(6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyZLDHVJVKFNDXTH-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.95
Rot. Bonds3

About 3-(ethoxycarbonylamino)benzoic acid

3-(ethoxycarbonylamino)benzoic acid (PubChem CID 717662) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(ethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name3-(ethoxycarbonylamino)benzoic acid
PubChem CID717662
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-(ethoxycarbonylamino)benzoic acid
SMILESCCOC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-4-7(6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13)
InChIKeyZLDHVJVKFNDXTH-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetrizoic Acid
CID 6806
N-acetylanthranilic acid
CID 6971
3-Aminobenzoic Acid
CID 7419
p-Acetamidobenzoic acid
CID 19266
Phthalanilic acid
CID 78458
3'-Methylphthalanilic acid
CID 6821
3-(Dimethylamino)benzoic acid
CID 66837
3-Acetamidobenzoic acid
CID 48847
2-((3-Carboxyphenyl)amino)benzoic acid
CID 97298
3-(2,5-Dioxopyrrolidin-1-yl)benzoic acid
CID 692331
3-(2,5-Dihydro-2,5-dioxo(1H)-pyrrole-1-yl)benzoic acid
CID 86926
Methyl 3-(propionylamino)benzoate
CID 730634

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxycarbonylamino)benzoic acid?
The IUPAC name of 3-(ethoxycarbonylamino)benzoic acid (CID 717662) is 3-(ethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 3-(ethoxycarbonylamino)benzoic acid?
The canonical SMILES for 3-(ethoxycarbonylamino)benzoic acid is CCOC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(ethoxycarbonylamino)benzoic acid?
The InChIKey is ZLDHVJVKFNDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-4-7(6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-(ethoxycarbonylamino)benzoic acid?
3-(ethoxycarbonylamino)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 717662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).