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

C19H28N2O3 — CID 95886223

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

(3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95886223) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95886223
• Molecular Formula: C19H28N2O3
• Molecular Weight: 332.44 g/mol
• Exact Mass: 332.21
• IUPAC Name: (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCCN1CC2(CCN(Cc3cccc(O)c3)CC2)C[C@H]1C(=O)O
• InChI: InChI=1S/C19H28N2O3/c1-2-8-21-14-19(12-17(21)18(23)24)6-9-20(10-7-19)13-15-4-3-5-16(22)11-15/h3-5,11,17,22H,2,6-10,12-14H2,1H3,(H,23,24)/t17-/m0/s1
• InChIKey: FDQLRWGTPRCHCV-KRWDZBQOSA-N
• XLogP: 2.54
• TPSA: 64.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95886223) is (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

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

The canonical SMILES for (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(Cc3cccc(O)c3)CC2)C[C@H]1C(=O)O.

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

The InChIKey is FDQLRWGTPRCHCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-8-21-14-19(12-17(21)18(23)24)6-9-20(10-7-19)13-15-4-3-5-16(22)11-15/h3-5,11,17,22H,2,6-10,12-14H2,1H3,(H,23,24)/t17-/m0/s1.

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

(3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95886223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).