(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid

C10H17NO4 — CID 103932864

IUPAC(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C10H17NO4/c1-6(2)9(12)11-4-7(3)15-8(5-11)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyBCDHIQLPIWFZIJ-GVHYBUMESA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds2

About (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid

(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 103932864) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
PubChem CID103932864
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C10H17NO4/c1-6(2)9(12)11-4-7(3)15-8(5-11)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyBCDHIQLPIWFZIJ-GVHYBUMESA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid (CID 103932864) is (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid is CC(C)C(=O)N1CC(C(=O)O)O[C@H](C)C1.
What is the InChIKey of (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is BCDHIQLPIWFZIJ-GVHYBUMESA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)9(12)11-4-7(3)15-8(5-11)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8?/m1/s1.
What are the key properties of (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid?
(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 103932864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).