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

C16H22N2O2 — CID 3233243

IUPACphenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O2/c1-17-11-9-16(12-17)8-5-10-18(13-16)15(19)20-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyPZXUCEVKCCWVRO-INIZCTEOSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds1

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

phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233243) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233243
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namephenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O2/c1-17-11-9-16(12-17)8-5-10-18(13-16)15(19)20-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyPZXUCEVKCCWVRO-INIZCTEOSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233243) is phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate is CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is PZXUCEVKCCWVRO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-11-9-16(12-17)8-5-10-18(13-16)15(19)20-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1.
What are the key properties of phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).