(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid

C20H20N2O4 — CID 3009560

IUPAC(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
SMILESC[C@@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m1/s1
InChIKeyDWRFNATXFQHHDE-JLTOFOAXSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid

(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid (PubChem CID 3009560) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
PubChem CID3009560
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
SMILESC[C@@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m1/s1
InChIKeyDWRFNATXFQHHDE-JLTOFOAXSA-N
XLogP2.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid (CID 3009560) is (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid is C[C@@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The InChIKey is DWRFNATXFQHHDE-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m1/s1.
What are the key properties of (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
(2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 3009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).