2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

C13H23NO3 — CID 102899123

IUPAC2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-14(10-12(15)16)9-11-5-8-13(17-11)6-3-2-4-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyXHNBAXGNHMYBKG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds4

About 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (PubChem CID 102899123) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
PubChem CID102899123
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-14(10-12(15)16)9-11-5-8-13(17-11)6-3-2-4-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyXHNBAXGNHMYBKG-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (CID 102899123) is 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid is CN(CC(=O)O)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The InChIKey is XHNBAXGNHMYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(10-12(15)16)9-11-5-8-13(17-11)6-3-2-4-7-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).