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

C14H23NO3 — CID 79893813

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)12-4-3-8-15(12)11-5-9-18-14(10-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyKNVKWYNCXLQIDQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.03
Rot. Bonds2

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

1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid (PubChem CID 79893813) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
PubChem CID79893813
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)12-4-3-8-15(12)11-5-9-18-14(10-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyKNVKWYNCXLQIDQ-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid (CID 79893813) is 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is KNVKWYNCXLQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)12-4-3-8-15(12)11-5-9-18-14(10-11)6-1-2-7-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid?
1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79893813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).