benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate

C14H17NO4 — CID 101002438

IUPACbenzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate
SMILESCCO[C@@H]1CC(=O)N1[14CH2]C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-2-18-13-8-12(16)15(13)9-14(17)19-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3/t13-/m1/s1/i9+2
InChIKeySATWMFGJQXTRMD-UDJOHAOJSA-N
MW265.29 g/mol
LogP1.32
Rot. Bonds6

About benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate

benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate (PubChem CID 101002438) has the molecular formula C14H17NO4 and a molecular weight of 265.29 g/mol. Its IUPAC name is benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate
PubChem CID101002438
Molecular FormulaC14H17NO4
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Namebenzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate
SMILESCCO[C@@H]1CC(=O)N1[14CH2]C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-2-18-13-8-12(16)15(13)9-14(17)19-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3/t13-/m1/s1/i9+2
InChIKeySATWMFGJQXTRMD-UDJOHAOJSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
CID 11493240
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 59439531
benzyl 2-ethoxy-1,3,3-trimethylcyclohexane-1-carboxylate
CID 146647630
benzyl (2S,3R)-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 70113338
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate?
The IUPAC name of benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate (CID 101002438) is benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate is CCO[C@@H]1CC(=O)N1[14CH2]C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate?
The InChIKey is SATWMFGJQXTRMD-UDJOHAOJSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-18-13-8-12(16)15(13)9-14(17)19-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3/t13-/m1/s1/i9+2.
What are the key properties of benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate?
benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate has a molecular weight of 265.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 101002438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).