methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate

C15H20N2O3 — CID 6712466

IUPACmethyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
SMILESCCC1C(NC(=O)OC)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-4-12-13(16-15(19)20-3)14(18)17(12)10(2)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12?,13?/m0/s1
InChIKeyDCKCSFPCQOLPRX-PKSQDBQZSA-N
MW276.34 g/mol
LogP2.09
Rot. Bonds4

About methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate

methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate (PubChem CID 6712466) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
PubChem CID6712466
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
SMILESCCC1C(NC(=O)OC)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-4-12-13(16-15(19)20-3)14(18)17(12)10(2)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12?,13?/m0/s1
InChIKeyDCKCSFPCQOLPRX-PKSQDBQZSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate?
The IUPAC name of methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate (CID 6712466) is methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate?
The canonical SMILES for methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate is CCC1C(NC(=O)OC)C(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate?
The InChIKey is DCKCSFPCQOLPRX-PKSQDBQZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-13(16-15(19)20-3)14(18)17(12)10(2)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12?,13?/m0/s1.
What are the key properties of methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate?
methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 6712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).