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

C11H10ClNO6 — CID 60676405

IUPAC3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)NC(=O)COc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C11H10ClNO6/c1-18-11(17)13-9(14)5-19-8-3-2-6(10(15)16)4-7(8)12/h2-4H,5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyKPMKAWPQYGBMSY-UHFFFAOYSA-N
MW287.66 g/mol
LogP1.30
Rot. Bonds4

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

3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid (PubChem CID 60676405) has the molecular formula C11H10ClNO6 and a molecular weight of 287.66 g/mol. Its IUPAC name is 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
PubChem CID60676405
Molecular FormulaC11H10ClNO6
Molecular Weight287.66 g/mol
Exact Mass287.02
IUPAC Name3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
SMILESCOC(=O)NC(=O)COc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C11H10ClNO6/c1-18-11(17)13-9(14)5-19-8-3-2-6(10(15)16)4-7(8)12/h2-4H,5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyKPMKAWPQYGBMSY-UHFFFAOYSA-N
XLogP1.30
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-[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

4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 79726833
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
3-[2-(methoxycarbonylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702407
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
3-chloro-4-[2-(1-cyclopropylethylamino)-2-oxoethoxy]benzoic acid
CID 45303918
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
CID 45418647
3-chloro-4-(3-methoxy-3-oxopropoxy)benzoic acid
CID 63947885
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid (CID 60676405) is 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid is COC(=O)NC(=O)COc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is KPMKAWPQYGBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO6/c1-18-11(17)13-9(14)5-19-8-3-2-6(10(15)16)4-7(8)12/h2-4H,5H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid?
3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 287.66 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 60676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).