(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one

C13H20N2O3 — CID 129349494

IUPAC(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1C[C@@]2(CCN(C(=O)C3(O)CCCC3)C2)CN1
InChIInChI=1S/C13H20N2O3/c16-10-7-12(8-14-10)5-6-15(9-12)11(17)13(18)3-1-2-4-13/h18H,1-9H2,(H,14,16)/t12-/m0/s1
InChIKeyICAMXZGMRPGOAZ-LBPRGKRZSA-N
MW252.31 g/mol
LogP0.03
Rot. Bonds1

About (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one

(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 129349494) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID129349494
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
SMILESO=C1C[C@@]2(CCN(C(=O)C3(O)CCCC3)C2)CN1
InChIInChI=1S/C13H20N2O3/c16-10-7-12(8-14-10)5-6-15(9-12)11(17)13(18)3-1-2-4-13/h18H,1-9H2,(H,14,16)/t12-/m0/s1
InChIKeyICAMXZGMRPGOAZ-LBPRGKRZSA-N
XLogP0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one
CID 119334303
2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
CID 121450254
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139013287
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 139001065
5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
CID 138999475
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one (CID 129349494) is (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one is O=C1C[C@@]2(CCN(C(=O)C3(O)CCCC3)C2)CN1.
What is the InChIKey of (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is ICAMXZGMRPGOAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-10-7-12(8-14-10)5-6-15(9-12)11(17)13(18)3-1-2-4-13/h18H,1-9H2,(H,14,16)/t12-/m0/s1.
What are the key properties of (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one?
(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 252.31 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 129349494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).