phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

C19H28N2O2 — CID 3234550

IUPACphenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C19H28N2O2/c1-16(2)13-20-12-10-19(14-20)9-6-11-21(15-19)18(22)23-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t19-/m0/s1
InChIKeyLTOQTEBXLPGSNJ-IBGZPJMESA-N
MW316.44 g/mol
LogP3.63
Rot. Bonds3

About phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3234550) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3234550
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namephenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C19H28N2O2/c1-16(2)13-20-12-10-19(14-20)9-6-11-21(15-19)18(22)23-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t19-/m0/s1
InChIKeyLTOQTEBXLPGSNJ-IBGZPJMESA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3234550) is phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is LTOQTEBXLPGSNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16(2)13-20-12-10-19(14-20)9-6-11-21(15-19)18(22)23-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t19-/m0/s1.
What are the key properties of phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3234550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).