2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid

C10H19NO3 — CID 27351736

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid
SMILESC[C@@H]1CN(C(C)(C)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(3,4)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+
InChIKeyQQDCIABLVSOOFW-OCAPTIKFSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid (PubChem CID 27351736) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid
PubChem CID27351736
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid
SMILESC[C@@H]1CN(C(C)(C)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(3,4)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+
InChIKeyQQDCIABLVSOOFW-OCAPTIKFSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid (CID 27351736) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid is C[C@@H]1CN(C(C)(C)C(=O)O)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid?
The InChIKey is QQDCIABLVSOOFW-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(3,4)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 27351736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).