6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid

C19H25N3O3 — CID 97122101

About 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid

6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid (PubChem CID 97122101) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 97122101
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
• InChI: InChI=1S/C19H25N3O3/c23-17(24)15-6-2-7-16(20-15)22-11-9-19(13-22)8-3-10-21(18(19)25)12-14-4-1-5-14/h2,6-7,14H,1,3-5,8-13H2,(H,23,24)/t19-/m0/s1
• InChIKey: DBBGSMPKDVMTFT-IBGZPJMESA-N
• XLogP: 2.40
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid (CID 97122101) is 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1.

What is the InChIKey of 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is DBBGSMPKDVMTFT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(24)15-6-2-7-16(20-15)22-11-9-19(13-22)8-3-10-21(18(19)25)12-14-4-1-5-14/h2,6-7,14H,1,3-5,8-13H2,(H,23,24)/t19-/m0/s1.

What are the key properties of 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid?

6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 97122101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).