(3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H29N3O2 — CID 95897636

About (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95897636) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95897636
• Molecular Formula: C19H29N3O2
• Molecular Weight: 331.46 g/mol
• Exact Mass: 331.23
• IUPAC Name: (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCCN1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@H]1C(=O)O
• InChI: InChI=1S/C19H29N3O2/c1-3-9-22-14-19(12-17(22)18(23)24)7-10-21(11-8-19)13-16-6-4-5-15(2)20-16/h4-6,17H,3,7-14H2,1-2H3,(H,23,24)/t17-/m0/s1
• InChIKey: PMJMHFCJJOKZEE-KRWDZBQOSA-N
• XLogP: 2.54
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95897636) is (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@H]1C(=O)O.

What is the InChIKey of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is PMJMHFCJJOKZEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-9-22-14-19(12-17(22)18(23)24)7-10-21(11-8-19)13-16-6-4-5-15(2)20-16/h4-6,17H,3,7-14H2,1-2H3,(H,23,24)/t17-/m0/s1.

What are the key properties of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95897636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).