2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid

C19H17NO5 — CID 67698706

IUPAC2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
SMILESCOc1ccc(N2C(=O)[C@H](CC(=O)O)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-9-7-13(8-10-14)20-17(15(19(20)24)11-16(21)22)18(23)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,21,22)/t15-,17-/m1/s1
InChIKeyWPPCSWBSLPQDCN-NVXWUHKLSA-N
MW339.35 g/mol
LogP2.38
Rot. Bonds6

About 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid

2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid (PubChem CID 67698706) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
PubChem CID67698706
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
SMILESCOc1ccc(N2C(=O)[C@H](CC(=O)O)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO5/c1-25-14-9-7-13(8-10-14)20-17(15(19(20)24)11-16(21)22)18(23)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,21,22)/t15-,17-/m1/s1
InChIKeyWPPCSWBSLPQDCN-NVXWUHKLSA-N
XLogP2.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101178816
(3S,4S)-4-benzoyl-1-(4-methoxyphenyl)-3-prop-1-en-2-ylazetidin-2-one
CID 102241614
(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14084672
ethyl (2R,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 135014634
methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14486394
methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 10064561
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
ethyl (2R,3S)-1-(4-methoxyphenyl)-3-(4-phenylbenzoyl)aziridine-2-carboxylate
CID 101477415

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid (CID 67698706) is 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid is COc1ccc(N2C(=O)[C@H](CC(=O)O)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid?
The InChIKey is WPPCSWBSLPQDCN-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H17NO5/c1-25-14-9-7-13(8-10-14)20-17(15(19(20)24)11-16(21)22)18(23)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,21,22)/t15-,17-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid?
2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid has a molecular weight of 339.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid is sourced from PubChem (CID 67698706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).