3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid

C15H25NO3 — CID 102899318

IUPAC3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC3(CCCCC3)O2)CCNC1
InChIInChI=1S/C15H25NO3/c17-13(18)14(8-9-16-11-14)10-12-4-7-15(19-12)5-2-1-3-6-15/h12,16H,1-11H2,(H,17,18)
InChIKeyCVPVWYVDSPDKMF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.32
Rot. Bonds3

About 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid

3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 102899318) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID102899318
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC3(CCCCC3)O2)CCNC1
InChIInChI=1S/C15H25NO3/c17-13(18)14(8-9-16-11-14)10-12-4-7-15(19-12)5-2-1-3-6-15/h12,16H,1-11H2,(H,17,18)
InChIKeyCVPVWYVDSPDKMF-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
3-(1-oxaspiro[4.5]decan-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 102899338
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 102901902
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)thiolane-2-carboxylic acid
CID 102901904
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
CID 167731589
6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
CID 167736831
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902632

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 102899318) is 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(CC2CCC3(CCCCC3)O2)CCNC1.
What is the InChIKey of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CVPVWYVDSPDKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(18)14(8-9-16-11-14)10-12-4-7-15(19-12)5-2-1-3-6-15/h12,16H,1-11H2,(H,17,18).
What are the key properties of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102899318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).