methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate

C18H17NO3 — CID 135070224

IUPACmethyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-18(21)16-15(14-10-6-3-7-11-14)17(20)19(16)12-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16+/m0/s1
InChIKeyFDUAPFJAABHMOZ-JKSUJKDBSA-N
MW295.34 g/mol
LogP2.35
Rot. Bonds4

About methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate

methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate (PubChem CID 135070224) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate
PubChem CID135070224
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-18(21)16-15(14-10-6-3-7-11-14)17(20)19(16)12-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16+/m0/s1
InChIKeyFDUAPFJAABHMOZ-JKSUJKDBSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[[4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoyl]amino]-2-phenylacetate
CID 24761789
Ethyl 2-methyl-1-(4-phenylbenzoyl)azetidine-2-carboxylate
CID 49786893
(2S,3S)-1,2-dibenzyl-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642675
(2S,3S)-2-benzyl-1-[(4-fluorophenyl)methyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642676
Methyl 2-[[1-[1-benzyl-2-(isobutylamino)-2-oxo-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate
CID 5278769
Methyl 2-[[1-[2-(isobutylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate
CID 5278776
Methyl 2-[[1-[2-(butylamino)-2-oxo-1-phenyl-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate
CID 5278791
Glycine, N-cyclohexyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068540
Glycine, N-benzyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068541
methyl (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 5278438
methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 11175603
methyl (2R)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 11210792

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate (CID 135070224) is methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate is COC(=O)[C@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate?
The InChIKey is FDUAPFJAABHMOZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-18(21)16-15(14-10-6-3-7-11-14)17(20)19(16)12-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16+/m0/s1.
What are the key properties of methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate?
methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-1-benzyl-4-oxo-3-phenylazetidine-2-carboxylate is sourced from PubChem (CID 135070224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).