2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C15H27N3O3 — CID 72916174

IUPAC2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESC[C@@H](CO)CN1CCC2(CCC(=O)N(CC(N)=O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(10-19)8-17-6-4-15(5-7-17)3-2-14(21)18(11-15)9-13(16)20/h12,19H,2-11H2,1H3,(H2,16,20)/t12-/m1/s1
InChIKeyCYUKQCNARNMAHI-GFCCVEGCSA-N
MW297.40 g/mol
LogP-0.20
Rot. Bonds5

About 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 72916174) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID72916174
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESC[C@@H](CO)CN1CCC2(CCC(=O)N(CC(N)=O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(10-19)8-17-6-4-15(5-7-17)3-2-14(21)18(11-15)9-13(16)20/h12,19H,2-11H2,1H3,(H2,16,20)/t12-/m1/s1
InChIKeyCYUKQCNARNMAHI-GFCCVEGCSA-N
XLogP-0.20
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 97132203
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70740041
2-[9-[(1-ethylpyrazol-3-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70769966
2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70754294
2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70717213
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-[(6R)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122741
2-[9-[3-(4-methylphenyl)propanoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72928019
2-[9-(2-hydroxy-4-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72867988
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 72916174) is 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is C[C@@H](CO)CN1CCC2(CCC(=O)N(CC(N)=O)C2)CC1.
What is the InChIKey of 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is CYUKQCNARNMAHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(10-19)8-17-6-4-15(5-7-17)3-2-14(21)18(11-15)9-13(16)20/h12,19H,2-11H2,1H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 72916174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).