prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate

C18H21NO6 — CID 71575480

IUPACprop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C18H21NO6/c1-3-9-24-18(22)19-10-15(17(19)21)13(2)25-16(20)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3/t13-,15+/m1/s1
InChIKeyTYTDTDTVRLSINR-HIFRSBDPSA-N
MW347.37 g/mol
LogP1.92
Rot. Bonds8

About prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate

prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate (PubChem CID 71575480) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate
PubChem CID71575480
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Nameprop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C18H21NO6/c1-3-9-24-18(22)19-10-15(17(19)21)13(2)25-16(20)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3/t13-,15+/m1/s1
InChIKeyTYTDTDTVRLSINR-HIFRSBDPSA-N
XLogP1.92
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate?
The IUPAC name of prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate (CID 71575480) is prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate is C=CCOC(=O)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O.
What is the InChIKey of prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate?
The InChIKey is TYTDTDTVRLSINR-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H21NO6/c1-3-9-24-18(22)19-10-15(17(19)21)13(2)25-16(20)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3/t13-,15+/m1/s1.
What are the key properties of prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate?
prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate is sourced from PubChem (CID 71575480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).