(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide

C13H22N2O3 — CID 134244857

IUPAC(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
SMILESCC1CCC2(CC1)CN(C(C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C13H22N2O3/c1-8-3-5-13(6-4-8)7-15(12(13)18)10(9(2)16)11(14)17/h8-10,16H,3-7H2,1-2H3,(H2,14,17)/t8?,9-,10?,13?/m1/s1
InChIKeyPLJBJNFAORQQMB-ZMLSKKEWSA-N
MW254.33 g/mol
LogP0.26
Rot. Bonds3

About (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide

(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide (PubChem CID 134244857) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
PubChem CID134244857
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
SMILESCC1CCC2(CC1)CN(C(C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C13H22N2O3/c1-8-3-5-13(6-4-8)7-15(12(13)18)10(9(2)16)11(14)17/h8-10,16H,3-7H2,1-2H3,(H2,14,17)/t8?,9-,10?,13?/m1/s1
InChIKeyPLJBJNFAORQQMB-ZMLSKKEWSA-N
XLogP0.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanoic acid
CID 134231155
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
(2S,3R)-2-[10-acetyl-8-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]-3,9-dioxo-2,8,10-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 161249867
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
CID 167552850
(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide
CID 138460106
(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 134243988
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
CID 134231190
(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
CID 167202368
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315624

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide?
The IUPAC name of (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide (CID 134244857) is (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide.
What is the SMILES notation for (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide?
The canonical SMILES for (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide is CC1CCC2(CC1)CN(C(C(N)=O)[C@@H](C)O)C2=O.
What is the InChIKey of (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide?
The InChIKey is PLJBJNFAORQQMB-ZMLSKKEWSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-3-5-13(6-4-8)7-15(12(13)18)10(9(2)16)11(14)17/h8-10,16H,3-7H2,1-2H3,(H2,14,17)/t8?,9-,10?,13?/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide?
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide is sourced from PubChem (CID 134244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).