4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid

C13H15NO7 — CID 43215127

IUPAC4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCCOC(=O)NC(=O)COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C13H15NO7/c1-3-20-13(18)14-11(15)7-21-9-5-4-8(12(16)17)6-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeySJFXZUWDIGMAQK-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.04
Rot. Bonds6

About 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid

4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid (PubChem CID 43215127) has the molecular formula C13H15NO7 and a molecular weight of 297.26 g/mol. Its IUPAC name is 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
PubChem CID43215127
Molecular FormulaC13H15NO7
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCCOC(=O)NC(=O)COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C13H15NO7/c1-3-20-13(18)14-11(15)7-21-9-5-4-8(12(16)17)6-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeySJFXZUWDIGMAQK-UHFFFAOYSA-N
XLogP1.04
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 79726833
3-[2-(methoxycarbonylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702407
3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 60676405
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
4-(3-ethoxypropoxy)-3-methoxybenzoic acid
CID 65175954
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014372
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253521
methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate
CID 7965360
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid (CID 43215127) is 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid is CCOC(=O)NC(=O)COc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The InChIKey is SJFXZUWDIGMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO7/c1-3-20-13(18)14-11(15)7-21-9-5-4-8(12(16)17)6-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid has a molecular weight of 297.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 43215127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).