(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid

C24H25N3O5 — CID 70308902

IUPAC(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid
SMILESC[C@H](c1ccc(-n2cccn2)cc1)N1CCO[C@H]([C@@H](OCc2ccccc2)C(=O)O)C1=O
InChIInChI=1S/C24H25N3O5/c1-17(19-8-10-20(11-9-19)27-13-5-12-25-27)26-14-15-31-21(23(26)28)22(24(29)30)32-16-18-6-3-2-4-7-18/h2-13,17,21-22H,14-16H2,1H3,(H,29,30)/t17-,21-,22-/m1/s1
InChIKeyGVORSAGTQYIBSV-ZPMCFJSWSA-N
MW435.48 g/mol
LogP2.83
Rot. Bonds8

About (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid

(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid (PubChem CID 70308902) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid
PubChem CID70308902
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid
SMILESC[C@H](c1ccc(-n2cccn2)cc1)N1CCO[C@H]([C@@H](OCc2ccccc2)C(=O)O)C1=O
InChIInChI=1S/C24H25N3O5/c1-17(19-8-10-20(11-9-19)27-13-5-12-25-27)26-14-15-31-21(23(26)28)22(24(29)30)32-16-18-6-3-2-4-7-18/h2-13,17,21-22H,14-16H2,1H3,(H,29,30)/t17-,21-,22-/m1/s1
InChIKeyGVORSAGTQYIBSV-ZPMCFJSWSA-N
XLogP2.83
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid?
The IUPAC name of (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid (CID 70308902) is (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid.
What is the SMILES notation for (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid?
The canonical SMILES for (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid is C[C@H](c1ccc(-n2cccn2)cc1)N1CCO[C@H]([C@@H](OCc2ccccc2)C(=O)O)C1=O.
What is the InChIKey of (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid?
The InChIKey is GVORSAGTQYIBSV-ZPMCFJSWSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-17(19-8-10-20(11-9-19)27-13-5-12-25-27)26-14-15-31-21(23(26)28)22(24(29)30)32-16-18-6-3-2-4-7-18/h2-13,17,21-22H,14-16H2,1H3,(H,29,30)/t17-,21-,22-/m1/s1.
What are the key properties of (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid?
(2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid has a molecular weight of 435.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-3-oxo-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-2-yl]-2-phenylmethoxyacetic acid is sourced from PubChem (CID 70308902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).