8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C21H34Cl2N4O3 — CID 154897217

About 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154897217) has the molecular formula C21H34Cl2N4O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• PubChem CID: 154897217
• Molecular Formula: C21H34Cl2N4O3
• Molecular Weight: 461.43 g/mol
• Exact Mass: 460.20
• IUPAC Name: 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• SMILES: C[C@@H](N)C(=O)N1CCC2(CC1)CN(CCN(C)CCc1ccccc1)C(=O)O2.Cl.Cl
• InChI: InChI=1S/C21H32N4O3.2ClH/c1-17(22)19(26)24-12-9-21(10-13-24)16-25(20(27)28-21)15-14-23(2)11-8-18-6-4-3-5-7-18;;/h3-7,17H,8-16,22H2,1-2H3;2*1H/t17-;;/m1../s1
• InChIKey: IYOOCRNQCOSOGF-ZEECNFPPSA-N
• XLogP: 2.17
• TPSA: 79.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.43
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The IUPAC name of 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154897217) is 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

What is the SMILES notation for 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The canonical SMILES for 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is C[C@@H](N)C(=O)N1CCC2(CC1)CN(CCN(C)CCc1ccccc1)C(=O)O2.Cl.Cl.

What is the InChIKey of 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The InChIKey is IYOOCRNQCOSOGF-ZEECNFPPSA-N. The full InChI is InChI=1S/C21H32N4O3.2ClH/c1-17(22)19(26)24-12-9-21(10-13-24)16-25(20(27)28-21)15-14-23(2)11-8-18-6-4-3-5-7-18;;/h3-7,17H,8-16,22H2,1-2H3;2*1H/t17-;;/m1../s1.

What are the key properties of 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 461.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R)-2-aminopropanoyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154897217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).