3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid

C11H21NO3 — CID 83032728

IUPAC3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-8(6-10(13)14)12-9-4-5-15-11(2,3)7-9/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyXPMNXMYQHKQIEE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds4

About 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid

3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid (PubChem CID 83032728) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
PubChem CID83032728
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-8(6-10(13)14)12-9-4-5-15-11(2,3)7-9/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyXPMNXMYQHKQIEE-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid?
The IUPAC name of 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid (CID 83032728) is 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid?
The canonical SMILES for 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid is CC(CC(=O)O)NC1CCOC(C)(C)C1.
What is the InChIKey of 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid?
The InChIKey is XPMNXMYQHKQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(6-10(13)14)12-9-4-5-15-11(2,3)7-9/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid?
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid is sourced from PubChem (CID 83032728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).