(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one

C24H28N2O4 — CID 10597583

IUPAC(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-15(17-11-7-5-8-12-17)25-19(21(29-3)23(25)27)20-22(30-4)24(28)26(20)16(2)18-13-9-6-10-14-18/h5-16,19-22H,1-4H3/t15-,16-,19-,20-,21+,22+/m0/s1
InChIKeyJIRDNKMFLACDFC-VYKRUAQDSA-N
MW408.50 g/mol
LogP2.96
Rot. Bonds7

About (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one

(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one (PubChem CID 10597583) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
PubChem CID10597583
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-15(17-11-7-5-8-12-17)25-19(21(29-3)23(25)27)20-22(30-4)24(28)26(20)16(2)18-13-9-6-10-14-18/h5-16,19-22H,1-4H3/t15-,16-,19-,20-,21+,22+/m0/s1
InChIKeyJIRDNKMFLACDFC-VYKRUAQDSA-N
XLogP2.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
[(3S)-2-(4-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54404582
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
CID 6712466
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
CID 10914354
(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
CID 57238552

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one (CID 10597583) is (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one is CO[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@H]1[C@H]1[C@@H](OC)C(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The InChIKey is JIRDNKMFLACDFC-VYKRUAQDSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(17-11-7-5-8-12-17)25-19(21(29-3)23(25)27)20-22(30-4)24(28)26(20)16(2)18-13-9-6-10-14-18/h5-16,19-22H,1-4H3/t15-,16-,19-,20-,21+,22+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 10597583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).