3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide

C18H30N2O2 — CID 164642805

IUPAC3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide
SMILESO=C(CC[C@H]1CCC(=O)N1)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-16-6-4-14(19-16)5-7-17(22)20-15-8-12-18(13-9-15)10-2-1-3-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyPQEFNNKRXLZLHD-CQSZACIVSA-N
MW306.45 g/mol
LogP3.05
Rot. Bonds4

About 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide

3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide (PubChem CID 164642805) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide.

Molecular Properties

Compound Name3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide
PubChem CID164642805
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide
SMILESO=C(CC[C@H]1CCC(=O)N1)NC1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-16-6-4-14(19-16)5-7-17(22)20-15-8-12-18(13-9-15)10-2-1-3-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyPQEFNNKRXLZLHD-CQSZACIVSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide?
The IUPAC name of 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide (CID 164642805) is 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide.
What is the SMILES notation for 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide?
The canonical SMILES for 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide is O=C(CC[C@H]1CCC(=O)N1)NC1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide?
The InChIKey is PQEFNNKRXLZLHD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-16-6-4-14(19-16)5-7-17(22)20-15-8-12-18(13-9-15)10-2-1-3-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide?
3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide has a molecular weight of 306.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-oxopyrrolidin-2-yl]-N-spiro[5.5]undecan-3-ylpropanamide is sourced from PubChem (CID 164642805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).