2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one

C18H31N3O3 — CID 97131712

IUPAC2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C18H31N3O3/c1-15(17(24)20-8-2-3-9-20)19-10-6-18(7-11-19)5-4-16(23)21(14-18)12-13-22/h15,22H,2-14H2,1H3/t15-/m0/s1
InChIKeyMTOGEUVTVNNWAS-HNNXBMFYSA-N
MW337.46 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97131712) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97131712
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C18H31N3O3/c1-15(17(24)20-8-2-3-9-20)19-10-6-18(7-11-19)5-4-16(23)21(14-18)12-13-22/h15,22H,2-14H2,1H3/t15-/m0/s1
InChIKeyMTOGEUVTVNNWAS-HNNXBMFYSA-N
XLogP0.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(Cyclopropylmethyl)-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124045067
2-(2-Hydroxyethyl)-9-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72888460
2-[3-Oxo-9-(1-pyrrolidinylacetyl)-2,9-diazaspiro[5.5]undec-2-yl]propanoic acid
CID 72926901
3-Methyl-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]butan-1-one
CID 124045046
Cyclopropyl-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124045047
3-Methoxy-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]propan-1-one
CID 124045052
8-Cyclopentanecarbonyl-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124045053
1-[2-Methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 124045057
2-Methyl-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]propan-1-one
CID 124075205
2-Methyl-8-(2-methylpropyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075208
8-Cyclopentyl-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075219
2-ethyl-1-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]butan-1-one
CID 164632501

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97131712) is 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCO)C2)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MTOGEUVTVNNWAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-15(17(24)20-8-2-3-9-20)19-10-6-18(7-11-19)5-4-16(23)21(14-18)12-13-22/h15,22H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 337.46 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97131712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).