(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid

C23H26N2O7 — CID 67699249

IUPAC(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid
SMILESCCC(=O)O.COc1ccc(COC(=O)CC2NC(NC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O5.C3H6O2/c1-26-15-9-7-13(8-10-15)12-27-17(23)11-16-18(24)19(21-16)22-20(25)14-5-3-2-4-6-14;1-2-3(4)5/h2-10,16,19,21H,11-12H2,1H3,(H,22,25);2H2,1H3,(H,4,5)
InChIKeyNLNRRWFVFIUYSQ-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.91
Rot. Bonds8

About (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid

(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid (PubChem CID 67699249) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid
PubChem CID67699249
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid
SMILESCCC(=O)O.COc1ccc(COC(=O)CC2NC(NC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O5.C3H6O2/c1-26-15-9-7-13(8-10-15)12-27-17(23)11-16-18(24)19(21-16)22-20(25)14-5-3-2-4-6-14;1-2-3(4)5/h2-10,16,19,21H,11-12H2,1H3,(H,22,25);2H2,1H3,(H,4,5)
InChIKeyNLNRRWFVFIUYSQ-UHFFFAOYSA-N
XLogP1.91
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxyphenyl)methyl 2-(2-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid
CID 70366066
N-[dideuterio-(4-methoxyphenyl)methoxy]benzamide
CID 10038175
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4-methoxyphenyl)methyl (6S)-7-benzamido-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
CID 22796440
(4-methoxyphenyl)methyl (6S)-7-benzamido-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 22812546
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
benzyl 2-[(4-methoxybenzoyl)amino]-3-oxo-3-phenylpropanoate
CID 44557729
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid?
The IUPAC name of (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid (CID 67699249) is (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid is CCC(=O)O.COc1ccc(COC(=O)CC2NC(NC(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid?
The InChIKey is NLNRRWFVFIUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5.C3H6O2/c1-26-15-9-7-13(8-10-15)12-27-17(23)11-16-18(24)19(21-16)22-20(25)14-5-3-2-4-6-14;1-2-3(4)5/h2-10,16,19,21H,11-12H2,1H3,(H,22,25);2H2,1H3,(H,4,5).
What are the key properties of (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid?
(4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid has a molecular weight of 442.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(4-benzamido-3-oxoazetidin-2-yl)acetate;propanoic acid is sourced from PubChem (CID 67699249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).