2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid

C14H20N2O4 — CID 103239179

IUPAC2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
SMILESCC(C)NC(=O)CNCCOc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)16-13(17)9-15-7-8-20-12-6-4-3-5-11(12)14(18)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMFEJMRIFOSWHTJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.88
Rot. Bonds8

About 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid

2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid (PubChem CID 103239179) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
PubChem CID103239179
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
SMILESCC(C)NC(=O)CNCCOc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)16-13(17)9-15-7-8-20-12-6-4-3-5-11(12)14(18)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMFEJMRIFOSWHTJ-UHFFFAOYSA-N
XLogP0.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239086
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
CID 103256335
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 106178113
2-[2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 103265786
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid (CID 103239179) is 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid is CC(C)NC(=O)CNCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid?
The InChIKey is MFEJMRIFOSWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)16-13(17)9-15-7-8-20-12-6-4-3-5-11(12)14(18)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid?
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid is sourced from PubChem (CID 103239179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).