N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide

C14H23N3O2 — CID 164636947

IUPACN-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide
SMILESO=C1C[C@H](CNC(=O)N2CC3(CCCCC3)C2)CN1
InChIInChI=1S/C14H23N3O2/c18-12-6-11(7-15-12)8-16-13(19)17-9-14(10-17)4-2-1-3-5-14/h11H,1-10H2,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyLWZVZQVNQURCMJ-NSHDSACASA-N
MW265.36 g/mol
LogP1.10
Rot. Bonds2

About N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide

N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 164636947) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID164636947
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide
SMILESO=C1C[C@H](CNC(=O)N2CC3(CCCCC3)C2)CN1
InChIInChI=1S/C14H23N3O2/c18-12-6-11(7-15-12)8-16-13(19)17-9-14(10-17)4-2-1-3-5-14/h11H,1-10H2,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyLWZVZQVNQURCMJ-NSHDSACASA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide (CID 164636947) is N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide is O=C1C[C@H](CNC(=O)N2CC3(CCCCC3)C2)CN1.
What is the InChIKey of N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is LWZVZQVNQURCMJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c18-12-6-11(7-15-12)8-16-13(19)17-9-14(10-17)4-2-1-3-5-14/h11H,1-10H2,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide?
N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 164636947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).