(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C14H26N2O2 — CID 129069914

IUPAC(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2
InChIInChI=1S/C14H26N2O2/c1-10(2)6-15-7-14(8-15)9-16(11(3)4)13(17)12(5)18-14/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyHKHCVOSGVJTURA-LBPRGKRZSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds3

About (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 129069914) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID129069914
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2
InChIInChI=1S/C14H26N2O2/c1-10(2)6-15-7-14(8-15)9-16(11(3)4)13(17)12(5)18-14/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyHKHCVOSGVJTURA-LBPRGKRZSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 129069914) is (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2.
What is the InChIKey of (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is HKHCVOSGVJTURA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)6-15-7-14(8-15)9-16(11(3)4)13(17)12(5)18-14/h10-12H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
(6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 254.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-(2-methylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 129069914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).