4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid

C12H13NO7 — CID 79726833

IUPAC4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)NC(=O)COc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C12H13NO7/c1-18-8-4-3-7(11(15)16)5-9(8)20-6-10(14)13-12(17)19-2/h3-5H,6H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyHKXPGHGGZFKZIF-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.65
Rot. Bonds5

About 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid

4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid (PubChem CID 79726833) has the molecular formula C12H13NO7 and a molecular weight of 283.24 g/mol. Its IUPAC name is 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
PubChem CID79726833
Molecular FormulaC12H13NO7
Molecular Weight283.24 g/mol
Exact Mass283.07
IUPAC Name4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)NC(=O)COc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C12H13NO7/c1-18-8-4-3-7(11(15)16)5-9(8)20-6-10(14)13-12(17)19-2/h3-5H,6H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyHKXPGHGGZFKZIF-UHFFFAOYSA-N
XLogP0.65
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-[2-(methoxycarbonylamino)-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-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 60676405
3-[2-(methoxycarbonylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702407
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
4-methoxy-3-[3-(methylamino)-3-oxopropoxy]benzoic acid
CID 62326859
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397323
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid (CID 79726833) is 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid is COC(=O)NC(=O)COc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is HKXPGHGGZFKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO7/c1-18-8-4-3-7(11(15)16)5-9(8)20-6-10(14)13-12(17)19-2/h3-5H,6H2,1-2H3,(H,15,16)(H,13,14,17).
What are the key properties of 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 283.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 79726833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).