(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid

C21H23NO6 — CID 67223561

IUPAC(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid
SMILESO=C(O)[C@H](O)[C@H]1OCCN(c2cccc(CCOCc3ccccc3)c2)C1=O
InChIInChI=1S/C21H23NO6/c23-18(21(25)26)19-20(24)22(10-12-28-19)17-8-4-7-15(13-17)9-11-27-14-16-5-2-1-3-6-16/h1-8,13,18-19,23H,9-12,14H2,(H,25,26)/t18-,19-/m1/s1
InChIKeyLDFQIISIPVOMKR-RTBURBONSA-N
MW385.42 g/mol
LogP1.62
Rot. Bonds8

About (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid

(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid (PubChem CID 67223561) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid
PubChem CID67223561
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid
SMILESO=C(O)[C@H](O)[C@H]1OCCN(c2cccc(CCOCc3ccccc3)c2)C1=O
InChIInChI=1S/C21H23NO6/c23-18(21(25)26)19-20(24)22(10-12-28-19)17-8-4-7-15(13-17)9-11-27-14-16-5-2-1-3-6-16/h1-8,13,18-19,23H,9-12,14H2,(H,25,26)/t18-,19-/m1/s1
InChIKeyLDFQIISIPVOMKR-RTBURBONSA-N
XLogP1.62
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid (CID 67223561) is (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid is O=C(O)[C@H](O)[C@H]1OCCN(c2cccc(CCOCc3ccccc3)c2)C1=O.
What is the InChIKey of (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid?
The InChIKey is LDFQIISIPVOMKR-RTBURBONSA-N. The full InChI is InChI=1S/C21H23NO6/c23-18(21(25)26)19-20(24)22(10-12-28-19)17-8-4-7-15(13-17)9-11-27-14-16-5-2-1-3-6-16/h1-8,13,18-19,23H,9-12,14H2,(H,25,26)/t18-,19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid?
(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid has a molecular weight of 385.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 67223561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).