4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid

C13H18N2O5 — CID 106238465

IUPAC4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
SMILESNC(=O)COCCNCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O5/c14-12(16)9-19-7-5-15-6-8-20-11-3-1-10(2-4-11)13(17)18/h1-4,15H,5-9H2,(H2,14,16)(H,17,18)
InChIKeyGBPURUQREUUOLA-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.14
Rot. Bonds10

About 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid

4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid (PubChem CID 106238465) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
PubChem CID106238465
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
SMILESNC(=O)COCCNCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O5/c14-12(16)9-19-7-5-15-6-8-20-11-3-1-10(2-4-11)13(17)18/h1-4,15H,5-9H2,(H2,14,16)(H,17,18)
InChIKeyGBPURUQREUUOLA-UHFFFAOYSA-N
XLogP-0.14
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
CID 103255061
4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
4-[2-[(3-methyl-2-propan-2-ylbutyl)amino]ethoxy]benzoic acid
CID 103268744
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
4-[2-[(2-hydroxy-3-methylbutyl)amino]ethoxy]benzoic acid
CID 103264238
4-[2-[(2-hydroxy-2-methylbutyl)amino]ethoxy]benzoic acid
CID 103253499
N'-hydroxy-4-[2-[2-(2-methylprop-2-enoxy)ethylamino]ethoxy]benzenecarboximidamide
CID 114468068
4-[10-[[4-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-10-oxodecoxy]benzoic acid
CID 123854899
2-(4-phenoxybutoxy)acetamide
CID 122703944
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid (CID 106238465) is 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid is NC(=O)COCCNCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid?
The InChIKey is GBPURUQREUUOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c14-12(16)9-19-7-5-15-6-8-20-11-3-1-10(2-4-11)13(17)18/h1-4,15H,5-9H2,(H2,14,16)(H,17,18).
What are the key properties of 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid?
4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of -0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid is sourced from PubChem (CID 106238465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).