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

C15H26N2O3 — CID 107324451

IUPAC3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C15H26N2O3/c16-15(13(18)19)8-9-17(11-15)10-12-4-7-14(20-12)5-2-1-3-6-14/h12H,1-11,16H2,(H,18,19)
InChIKeyXCEQBPUDZCIZPK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.36
Rot. Bonds3

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

3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324451) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID107324451
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C15H26N2O3/c16-15(13(18)19)8-9-17(11-15)10-12-4-7-14(20-12)5-2-1-3-6-14/h12H,1-11,16H2,(H,18,19)
InChIKeyXCEQBPUDZCIZPK-UHFFFAOYSA-N
XLogP1.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 107324451) is 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XCEQBPUDZCIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-15(13(18)19)8-9-17(11-15)10-12-4-7-14(20-12)5-2-1-3-6-14/h12H,1-11,16H2,(H,18,19).
What are the key properties of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).