(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N2O3 — CID 97145995

IUPAC(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1
InChIInChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m0/s1
InChIKeyRMAOOZMMXDISQR-KRWDZBQOSA-N
MW344.45 g/mol
LogP2.45
Rot. Bonds6

About (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97145995) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97145995
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1
InChIInChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m0/s1
InChIKeyRMAOOZMMXDISQR-KRWDZBQOSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97145995) is (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1.
What is the InChIKey of (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is RMAOOZMMXDISQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m0/s1.
What are the key properties of (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 344.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97145995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).