4-(2-methylpentyl)morpholine-2-carboxylic acid

C11H21NO3 — CID 62266429

IUPAC4-(2-methylpentyl)morpholine-2-carboxylic acid
SMILESCCCC(C)CN1CCOC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)7-12-5-6-15-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJTCWJFMKLLTIQM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 4-(2-methylpentyl)morpholine-2-carboxylic acid

4-(2-methylpentyl)morpholine-2-carboxylic acid (PubChem CID 62266429) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(2-methylpentyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpentyl)morpholine-2-carboxylic acid
PubChem CID62266429
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(2-methylpentyl)morpholine-2-carboxylic acid
SMILESCCCC(C)CN1CCOC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-3-4-9(2)7-12-5-6-15-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJTCWJFMKLLTIQM-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-methylpentyl)morpholine-2-carboxylic acid (CID 62266429) is 4-(2-methylpentyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylpentyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-methylpentyl)morpholine-2-carboxylic acid is CCCC(C)CN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-methylpentyl)morpholine-2-carboxylic acid?
The InChIKey is JTCWJFMKLLTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9(2)7-12-5-6-15-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-methylpentyl)morpholine-2-carboxylic acid?
4-(2-methylpentyl)morpholine-2-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 62266429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).