methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate

C21H24N2O3 — CID 11175603

IUPACmethyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-16(18-11-7-4-8-12-18)22-20(25)23-14-13-21(23,19(24)26-2)15-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,22,25)/t16-,21+/m0/s1
InChIKeyHWSRODHWXBZVDE-HRAATJIYSA-N
MW352.43 g/mol
LogP3.32
Rot. Bonds5

About methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate

methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate (PubChem CID 11175603) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
PubChem CID11175603
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-16(18-11-7-4-8-12-18)22-20(25)23-14-13-21(23,19(24)26-2)15-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,22,25)/t16-,21+/m0/s1
InChIKeyHWSRODHWXBZVDE-HRAATJIYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate?
The IUPAC name of methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate (CID 11175603) is methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate?
The canonical SMILES for methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate is COC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate?
The InChIKey is HWSRODHWXBZVDE-HRAATJIYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(18-11-7-4-8-12-18)22-20(25)23-14-13-21(23,19(24)26-2)15-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,22,25)/t16-,21+/m0/s1.
What are the key properties of methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate?
methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate is sourced from PubChem (CID 11175603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).