2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid

C15H25NO3 — CID 79893834

IUPAC2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-14(13(17)18)6-4-9-16(14)12-5-10-19-15(11-12)7-2-3-8-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyITKADOJMNFLNDE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid

2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid (PubChem CID 79893834) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
PubChem CID79893834
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-14(13(17)18)6-4-9-16(14)12-5-10-19-15(11-12)7-2-3-8-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyITKADOJMNFLNDE-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid (CID 79893834) is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ITKADOJMNFLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(13(17)18)6-4-9-16(14)12-5-10-19-15(11-12)7-2-3-8-15/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79893834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).