(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid

C20H18N2O5 — CID 10499122

IUPAC(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O5/c23-18-16(17(19(24)25)21(18)11-13-7-3-1-4-8-13)22-15(12-27-20(22)26)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)/t15-,16+,17+/m1/s1
InChIKeyUPRBRNHAJXZXPJ-IKGGRYGDSA-N
MW366.37 g/mol
LogP2.04
Rot. Bonds5

About (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid

(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid (PubChem CID 10499122) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid
PubChem CID10499122
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O5/c23-18-16(17(19(24)25)21(18)11-13-7-3-1-4-8-13)22-15(12-27-20(22)26)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)/t15-,16+,17+/m1/s1
InChIKeyUPRBRNHAJXZXPJ-IKGGRYGDSA-N
XLogP2.04
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
2,3-Bis[benzyl(ethoxycarbonyl)amino]butanedioic acid
CID 657674
2-(2-methyl-1,3-dioxolan-2-yl)-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetic acid
CID 14306034
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
CID 10665536
methyl (2S)-2-[[(2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]-methylamino]propanoate
CID 388575
4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 66587140
4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]butanoic acid
CID 66587156
4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-prop-1-enylazetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 66587176
4-oxo-3-[2-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 66587177
tert-butyl 4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-prop-1-enylazetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 66587716
tert-butyl 4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]butanoate
CID 67530281

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid (CID 10499122) is (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid is O=C(O)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid?
The InChIKey is UPRBRNHAJXZXPJ-IKGGRYGDSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-18-16(17(19(24)25)21(18)11-13-7-3-1-4-8-13)22-15(12-27-20(22)26)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)/t15-,16+,17+/m1/s1.
What are the key properties of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid?
(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid has a molecular weight of 366.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carboxylic acid is sourced from PubChem (CID 10499122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).