2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid

C16H21NO6 — CID 90319948

IUPAC2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
SMILESCOc1ccc(CN2CCO[C@](C)(C(C)(O)C(=O)O)C2=O)cc1
InChIInChI=1S/C16H21NO6/c1-15(21,14(19)20)16(2)13(18)17(8-9-23-16)10-11-4-6-12(22-3)7-5-11/h4-7,21H,8-10H2,1-3H3,(H,19,20)/t15?,16-/m0/s1
InChIKeyAZHZSVSMWUNITE-LYKKTTPLSA-N
MW323.34 g/mol
LogP0.65
Rot. Bonds5

About 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid

2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid (PubChem CID 90319948) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
PubChem CID90319948
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
SMILESCOc1ccc(CN2CCO[C@](C)(C(C)(O)C(=O)O)C2=O)cc1
InChIInChI=1S/C16H21NO6/c1-15(21,14(19)20)16(2)13(18)17(8-9-23-16)10-11-4-6-12(22-3)7-5-11/h4-7,21H,8-10H2,1-3H3,(H,19,20)/t15?,16-/m0/s1
InChIKeyAZHZSVSMWUNITE-LYKKTTPLSA-N
XLogP0.65
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid (CID 90319948) is 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid is COc1ccc(CN2CCO[C@](C)(C(C)(O)C(=O)O)C2=O)cc1.
What is the InChIKey of 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid?
The InChIKey is AZHZSVSMWUNITE-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H21NO6/c1-15(21,14(19)20)16(2)13(18)17(8-9-23-16)10-11-4-6-12(22-3)7-5-11/h4-7,21H,8-10H2,1-3H3,(H,19,20)/t15?,16-/m0/s1.
What are the key properties of 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid?
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid has a molecular weight of 323.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid is sourced from PubChem (CID 90319948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).