4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid

C11H11NO6 — CID 61327264

IUPAC4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
SMILESO=C(O)COCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H11NO6/c13-9(5-18-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyJNIIZEDLHTZUMK-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.42
Rot. Bonds6

About 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid

4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid (PubChem CID 61327264) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
PubChem CID61327264
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Name4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
SMILESO=C(O)COCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H11NO6/c13-9(5-18-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyJNIIZEDLHTZUMK-UHFFFAOYSA-N
XLogP0.42
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
CID 23971573
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
CID 60708142
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
CID 61329797
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
CID 2732298
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid (CID 61327264) is 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid is O=C(O)COCC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid?
The InChIKey is JNIIZEDLHTZUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6/c13-9(5-18-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid?
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid has a molecular weight of 253.21 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 61327264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).