2-[3-(methylamino)oxan-3-yl]acetic acid

C8H15NO3 — CID 65236837

IUPAC2-[3-(methylamino)oxan-3-yl]acetic acid
SMILESCNC1(CC(=O)O)CCCOC1
InChIInChI=1S/C8H15NO3/c1-9-8(5-7(10)11)3-2-4-12-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNQCMURARFBZOOP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds3

About 2-[3-(methylamino)oxan-3-yl]acetic acid

2-[3-(methylamino)oxan-3-yl]acetic acid (PubChem CID 65236837) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[3-(methylamino)oxan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methylamino)oxan-3-yl]acetic acid
PubChem CID65236837
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[3-(methylamino)oxan-3-yl]acetic acid
SMILESCNC1(CC(=O)O)CCCOC1
InChIInChI=1S/C8H15NO3/c1-9-8(5-7(10)11)3-2-4-12-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNQCMURARFBZOOP-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)oxan-3-yl]acetic acid?
The IUPAC name of 2-[3-(methylamino)oxan-3-yl]acetic acid (CID 65236837) is 2-[3-(methylamino)oxan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(methylamino)oxan-3-yl]acetic acid?
The canonical SMILES for 2-[3-(methylamino)oxan-3-yl]acetic acid is CNC1(CC(=O)O)CCCOC1.
What is the InChIKey of 2-[3-(methylamino)oxan-3-yl]acetic acid?
The InChIKey is NQCMURARFBZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-8(5-7(10)11)3-2-4-12-6-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[3-(methylamino)oxan-3-yl]acetic acid?
2-[3-(methylamino)oxan-3-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)oxan-3-yl]acetic acid is sourced from PubChem (CID 65236837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).