9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O2 — CID 72887835

IUPAC9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-3-4-17(21)19(27)24-9-7-20(8-10-24)6-5-18(26)25(14-20)13-16-12-22-15(2)11-23-16/h11-12,17H,3-10,13-14,21H2,1-2H3/t17-/m0/s1
InChIKeyAQDARCYRNPEVFS-KRWDZBQOSA-N
MW373.50 g/mol
LogP1.64
Rot. Bonds5

About 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72887835) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72887835
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-3-4-17(21)19(27)24-9-7-20(8-10-24)6-5-18(26)25(14-20)13-16-12-22-15(2)11-23-16/h11-12,17H,3-10,13-14,21H2,1-2H3/t17-/m0/s1
InChIKeyAQDARCYRNPEVFS-KRWDZBQOSA-N
XLogP1.64
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72887835) is 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1.
What is the InChIKey of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AQDARCYRNPEVFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-3-4-17(21)19(27)24-9-7-20(8-10-24)6-5-18(26)25(14-20)13-16-12-22-15(2)11-23-16/h11-12,17H,3-10,13-14,21H2,1-2H3/t17-/m0/s1.
What are the key properties of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72887835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).