2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid

C18H22N2O6 — CID 71616718

IUPAC2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(CCCCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C18H22N2O6/c21-15(11-26-12-18(24)25)19-14-7-5-13(6-8-14)3-1-2-4-16(22)20-10-9-17(20)23/h5-8H,1-4,9-12H2,(H,19,21)(H,24,25)
InChIKeyZJABQYLUTOPKHJ-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.20
Rot. Bonds10

About 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid

2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid (PubChem CID 71616718) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
PubChem CID71616718
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(CCCCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C18H22N2O6/c21-15(11-26-12-18(24)25)19-14-7-5-13(6-8-14)3-1-2-4-16(22)20-10-9-17(20)23/h5-8H,1-4,9-12H2,(H,19,21)(H,24,25)
InChIKeyZJABQYLUTOPKHJ-UHFFFAOYSA-N
XLogP1.20
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
CID 123379665
1-[2-(4-aminophenyl)acetyl]azetidin-2-one;1,4-dioxane-2,6-dione;2-[2-oxo-2-[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]ethoxy]acetic acid
CID 159630361
N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 163498903
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
CID 143668150
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
CID 161252204
CID 161252204
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
1-(2,2-dideuterio-5-phenylpentanoyl)azepan-2-one
CID 102595226

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid (CID 71616718) is 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(CCCCC(=O)N2CCC2=O)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid?
The InChIKey is ZJABQYLUTOPKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c21-15(11-26-12-18(24)25)19-14-7-5-13(6-8-14)3-1-2-4-16(22)20-10-9-17(20)23/h5-8H,1-4,9-12H2,(H,19,21)(H,24,25).
What are the key properties of 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid?
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid has a molecular weight of 362.38 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid is sourced from PubChem (CID 71616718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).