(3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H26N2O5 — CID 95658181

About (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95658181) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95658181
• Molecular Formula: C19H26N2O5
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.18
• IUPAC Name: (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccc(OC)cc1
• InChI: InChI=1S/C19H26N2O5/c1-3-20-10-8-19(9-11-20)21(16(13-26-19)18(23)24)17(22)12-14-4-6-15(25-2)7-5-14/h4-7,16H,3,8-13H2,1-2H3,(H,23,24)/t16-/m0/s1
• InChIKey: DARHZPNVXLAUGG-INIZCTEOSA-N
• XLogP: 1.36
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95658181) is (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccc(OC)cc1.

What is the InChIKey of (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is DARHZPNVXLAUGG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-20-10-8-19(9-11-20)21(16(13-26-19)18(23)24)17(22)12-14-4-6-15(25-2)7-5-14/h4-7,16H,3,8-13H2,1-2H3,(H,23,24)/t16-/m0/s1.

What are the key properties of (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-ethyl-4-[2-(4-methoxyphenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95658181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).