2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid

C13H23NO4 — CID 64526565

IUPAC2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)(N2CCOCC2)CCO1
InChIInChI=1S/C13H23NO4/c1-12(2)10-13(3-6-18-12,9-11(15)16)14-4-7-17-8-5-14/h3-10H2,1-2H3,(H,15,16)
InChIKeyXKNCWGYBHZCVSU-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.12
Rot. Bonds3

About 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid

2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid (PubChem CID 64526565) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid
PubChem CID64526565
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)(N2CCOCC2)CCO1
InChIInChI=1S/C13H23NO4/c1-12(2)10-13(3-6-18-12,9-11(15)16)14-4-7-17-8-5-14/h3-10H2,1-2H3,(H,15,16)
InChIKeyXKNCWGYBHZCVSU-UHFFFAOYSA-N
XLogP1.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid?
The IUPAC name of 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid (CID 64526565) is 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid?
The canonical SMILES for 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid is CC1(C)CC(CC(=O)O)(N2CCOCC2)CCO1.
What is the InChIKey of 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid?
The InChIKey is XKNCWGYBHZCVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2)10-13(3-6-18-12,9-11(15)16)14-4-7-17-8-5-14/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid?
2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-morpholin-4-yloxan-4-yl)acetic acid is sourced from PubChem (CID 64526565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).