(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C18H23N3O3 — CID 98767916

IUPAC(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC[C@H](C)[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-3-12(2)14(13-7-5-4-6-8-13)15(22)21-10-9-18(11-21)16(23)19-17(24)20-18/h4-8,12,14H,3,9-11H2,1-2H3,(H2,19,20,23,24)/t12-,14+,18-/m0/s1
InChIKeyZFHXJNOYDTUQIG-WRSAYESZSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds4

About (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 98767916) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID98767916
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC[C@H](C)[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-3-12(2)14(13-7-5-4-6-8-13)15(22)21-10-9-18(11-21)16(23)19-17(24)20-18/h4-8,12,14H,3,9-11H2,1-2H3,(H2,19,20,23,24)/t12-,14+,18-/m0/s1
InChIKeyZFHXJNOYDTUQIG-WRSAYESZSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 98767916) is (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC[C@H](C)[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1.
What is the InChIKey of (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZFHXJNOYDTUQIG-WRSAYESZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-12(2)14(13-7-5-4-6-8-13)15(22)21-10-9-18(11-21)16(23)19-17(24)20-18/h4-8,12,14H,3,9-11H2,1-2H3,(H2,19,20,23,24)/t12-,14+,18-/m0/s1.
What are the key properties of (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 98767916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).