(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C12H22N2O3 — CID 95209608

IUPAC(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(CO)CO)C2)C1=O
InChIInChI=1S/C12H22N2O3/c1-13-5-2-3-12(11(13)17)4-6-14(9-12)10(7-15)8-16/h10,15-16H,2-9H2,1H3/t12-/m0/s1
InChIKeyXURBXFDMGOZZBW-LBPRGKRZSA-N
MW242.32 g/mol
LogP-0.72
Rot. Bonds3

About (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95209608) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95209608
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(CO)CO)C2)C1=O
InChIInChI=1S/C12H22N2O3/c1-13-5-2-3-12(11(13)17)4-6-14(9-12)10(7-15)8-16/h10,15-16H,2-9H2,1H3/t12-/m0/s1
InChIKeyXURBXFDMGOZZBW-LBPRGKRZSA-N
XLogP-0.72
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
6-methyl-6-azaspiro[3.6]decan-5-one
CID 12509314
5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72934259
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
CID 95200256
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
(2R)-5-[(hydroxyamino)methyl]-1'-methylspiro[1,3-dihydroindene-2,3'-piperidine]-2'-one
CID 169026678
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 95209608) is (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(C(CO)CO)C2)C1=O.
What is the InChIKey of (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XURBXFDMGOZZBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-5-2-3-12(11(13)17)4-6-14(9-12)10(7-15)8-16/h10,15-16H,2-9H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 242.32 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1,3-dihydroxypropan-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95209608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).