(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide

C15H26N2O3 — CID 129344708

IUPAC(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
SMILESC[C@]1(O)CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C1
InChIInChI=1S/C15H26N2O3/c1-14(19)5-8-17(11-14)13(18)16-12-3-2-4-15(12)6-9-20-10-7-15/h12,19H,2-11H2,1H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyAXIDNVGUFUAAHZ-OCCSQVGLSA-N
MW282.38 g/mol
LogP1.50
Rot. Bonds1

About (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide

(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide (PubChem CID 129344708) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
PubChem CID129344708
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
SMILESC[C@]1(O)CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C1
InChIInChI=1S/C15H26N2O3/c1-14(19)5-8-17(11-14)13(18)16-12-3-2-4-15(12)6-9-20-10-7-15/h12,19H,2-11H2,1H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyAXIDNVGUFUAAHZ-OCCSQVGLSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide (CID 129344708) is (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide is C[C@]1(O)CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C1.
What is the InChIKey of (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is AXIDNVGUFUAAHZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(19)5-8-17(11-14)13(18)16-12-3-2-4-15(12)6-9-20-10-7-15/h12,19H,2-11H2,1H3,(H,16,18)/t12-,14+/m1/s1.
What are the key properties of (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129344708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).