2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H29N3O3 — CID 97150088

IUPAC2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3/t14-/m0/s1
InChIKeyKWTQNHCJVYHGCX-AWEZNQCLSA-N
MW323.44 g/mol
LogP1.29
Rot. Bonds2

About 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97150088) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97150088
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3/t14-/m0/s1
InChIKeyKWTQNHCJVYHGCX-AWEZNQCLSA-N
XLogP1.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Hydroxypropyl)-9-(1-pyrrolidinylsulfonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848200
N,N-dimethyl-3-oxo-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72879163
2-(2-Hydroxypropyl)-9-(1-pyrrolidinylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
2-Cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 86283577
2-[(2S)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97112766
2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97112767
N,N-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97127847
N,N-dimethyl-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97127848
2-[(2R)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97150089

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97150088) is 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KWTQNHCJVYHGCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 323.44 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97150088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).