(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid

C18H17NO3 — CID 86338341

IUPAC(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1C[C@](Cc2ccccc2)(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)/t18-/m1/s1
InChIKeyOMUHSOSJVCCTJU-GOSISDBHSA-N
MW295.34 g/mol
LogP2.48
Rot. Bonds5

About (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid

(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 86338341) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
PubChem CID86338341
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1C[C@](Cc2ccccc2)(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)/t18-/m1/s1
InChIKeyOMUHSOSJVCCTJU-GOSISDBHSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1,2-dibenzyl-4-oxoazetidine-2-carboxylate
CID 15907320
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
1,2-dibenzylpiperazine-2-carboxylic acid
CID 174963480
(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid
CID 67741255
tert-butyl (2S)-1-benzyl-2-(1H-indol-3-ylmethyl)-4-oxoazetidine-2-carboxylate
CID 101386402
tert-butyl 3-[[1-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoazetidin-2-yl]methyl]indole-1-carboxylate
CID 101047657
(4R)-4-(2-aminoethyl)-1-benzyl-4-methylazetidin-2-one;methane
CID 142384259
2-benzyl-1-methylpiperidine-2-carboxylic acid
CID 84796305
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
1-benzylcyclopropane-1-carboxylic acid
CID 562561

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid (CID 86338341) is (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid is O=C1C[C@](Cc2ccccc2)(C(=O)O)N1Cc1ccccc1.
What is the InChIKey of (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is OMUHSOSJVCCTJU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 86338341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).