3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid

C23H26N2O5 — CID 110165774

IUPAC3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid
SMILESCN1C(=O)CO[C@@H](C(=O)N(CCC(=O)O)CCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O5/c1-24-19(26)16-30-22(21(24)18-10-6-3-7-11-18)23(29)25(15-13-20(27)28)14-12-17-8-4-2-5-9-17/h2-11,21-22H,12-16H2,1H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyIVLFABWGWOEQJQ-FGZHOGPDSA-N
MW410.47 g/mol
LogP2.13
Rot. Bonds8

About 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid

3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid (PubChem CID 110165774) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid
PubChem CID110165774
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid
SMILESCN1C(=O)CO[C@@H](C(=O)N(CCC(=O)O)CCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O5/c1-24-19(26)16-30-22(21(24)18-10-6-3-7-11-18)23(29)25(15-13-20(27)28)14-12-17-8-4-2-5-9-17/h2-11,21-22H,12-16H2,1H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyIVLFABWGWOEQJQ-FGZHOGPDSA-N
XLogP2.13
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid (CID 110165774) is 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid is CN1C(=O)CO[C@@H](C(=O)N(CCC(=O)O)CCc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid?
The InChIKey is IVLFABWGWOEQJQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-24-19(26)16-30-22(21(24)18-10-6-3-7-11-18)23(29)25(15-13-20(27)28)14-12-17-8-4-2-5-9-17/h2-11,21-22H,12-16H2,1H3,(H,27,28)/t21-,22-/m1/s1.
What are the key properties of 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid?
3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid has a molecular weight of 410.47 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 110165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).