(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide

C15H26N2O3 — CID 139390715

IUPAC(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11(18)13(14(16)20)17-10-15(9-12(17)19)7-5-3-2-4-6-8-15/h11,13,18H,2-10H2,1H3,(H2,16,20)/t11-,13+/m1/s1
InChIKeyIZUDUFBAGKUYTP-YPMHNXCESA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide

(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide (PubChem CID 139390715) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
PubChem CID139390715
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11(18)13(14(16)20)17-10-15(9-12(17)19)7-5-3-2-4-6-8-15/h11,13,18H,2-10H2,1H3,(H2,16,20)/t11-,13+/m1/s1
InChIKeyIZUDUFBAGKUYTP-YPMHNXCESA-N
XLogP1.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-oxo-2-azaspiro[4.5]decan-2-yl)ethyl]-2-azaspiro[4.5]decan-3-one
CID 67136329
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.5]decan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 139390703
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
CID 4692747
(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-[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
2-propan-2-yl-2,10-diazaspiro[4.6]undecan-3-one
CID 105464444
2-propan-2-yl-2,9-diazaspiro[4.5]decan-3-one
CID 84667102
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide (CID 139390715) is (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide is C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCCCCCC2)CC1=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide?
The InChIKey is IZUDUFBAGKUYTP-YPMHNXCESA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(18)13(14(16)20)17-10-15(9-12(17)19)7-5-3-2-4-6-8-15/h11,13,18H,2-10H2,1H3,(H2,16,20)/t11-,13+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide?
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide has a molecular weight of 282.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide is sourced from PubChem (CID 139390715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).