1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid

C13H21NO3 — CID 79893963

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(16)11-3-1-7-14(11)10-4-8-17-13(9-10)5-2-6-13/h10-11H,1-9H2,(H,15,16)
InChIKeySQXMXGLOFTXXRC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.64
Rot. Bonds2

About 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid

1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid (PubChem CID 79893963) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
PubChem CID79893963
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H21NO3/c15-12(16)11-3-1-7-14(11)10-4-8-17-13(9-10)5-2-6-13/h10-11H,1-9H2,(H,15,16)
InChIKeySQXMXGLOFTXXRC-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
1-(2,2-dimethyloxan-4-yl)azepane-2-carboxylic acid
CID 65069518
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid (CID 79893963) is 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SQXMXGLOFTXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(16)11-3-1-7-14(11)10-4-8-17-13(9-10)5-2-6-13/h10-11H,1-9H2,(H,15,16).
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid?
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79893963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).