(5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid

C26H35N3O6 — CID 59547314

About (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid

(5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 59547314) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

• Compound Name: (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid
• PubChem CID: 59547314
• Molecular Formula: C26H35N3O6
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.25
• IUPAC Name: (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid
• SMILES: CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@]2(CC(=O)N(c3ccccc3)C2)C[C@H]1C(=O)O
• InChI: InChI=1S/C26H35N3O6/c1-25(2,3)21(27-24(34)35-18-11-7-8-12-18)22(31)29-16-26(13-19(29)23(32)33)14-20(30)28(15-26)17-9-5-4-6-10-17/h4-6,9-10,18-19,21H,7-8,11-16H2,1-3H3,(H,27,34)(H,32,33)/t19-,21+,26+/m0/s1
• InChIKey: IFVSMBZAJDGHCW-JDRJUVJTSA-N
• XLogP: 3.18
• TPSA: 116.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid?

The IUPAC name of (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid (CID 59547314) is (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid.

What is the SMILES notation for (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid?

The canonical SMILES for (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid is CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@]2(CC(=O)N(c3ccccc3)C2)C[C@H]1C(=O)O.

What is the InChIKey of (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid?

The InChIKey is IFVSMBZAJDGHCW-JDRJUVJTSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-25(2,3)21(27-24(34)35-18-11-7-8-12-18)22(31)29-16-26(13-19(29)23(32)33)14-20(30)28(15-26)17-9-5-4-6-10-17/h4-6,9-10,18-19,21H,7-8,11-16H2,1-3H3,(H,27,34)(H,32,33)/t19-,21+,26+/m0/s1.

What are the key properties of (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid?

(5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 485.58 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,8S)-7-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-3-oxo-2-phenyl-2,7-diazaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 59547314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).