(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide

C13H23N3O3 — CID 163730603

IUPAC(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC1CCC2(N1)C(=O)N([C@H](C(N)=O)C(C)(C)O)C2C
InChIInChI=1S/C13H23N3O3/c1-7-5-6-13(15-7)8(2)16(11(13)18)9(10(14)17)12(3,4)19/h7-9,15,19H,5-6H2,1-4H3,(H2,14,17)/t7?,8?,9-,13?/m1/s1
InChIKeyKZFKADMDERVCSY-XDCUTHNISA-N
MW269.34 g/mol
LogP-0.65
Rot. Bonds3

About (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide

(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 163730603) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide
PubChem CID163730603
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC1CCC2(N1)C(=O)N([C@H](C(N)=O)C(C)(C)O)C2C
InChIInChI=1S/C13H23N3O3/c1-7-5-6-13(15-7)8(2)16(11(13)18)9(10(14)17)12(3,4)19/h7-9,15,19H,5-6H2,1-4H3,(H2,14,17)/t7?,8?,9-,13?/m1/s1
InChIKeyKZFKADMDERVCSY-XDCUTHNISA-N
XLogP-0.65
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide (CID 163730603) is (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide is CC1CCC2(N1)C(=O)N([C@H](C(N)=O)C(C)(C)O)C2C.
What is the InChIKey of (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide?
The InChIKey is KZFKADMDERVCSY-XDCUTHNISA-N. The full InChI is InChI=1S/C13H23N3O3/c1-7-5-6-13(15-7)8(2)16(11(13)18)9(10(14)17)12(3,4)19/h7-9,15,19H,5-6H2,1-4H3,(H2,14,17)/t7?,8?,9-,13?/m1/s1.
What are the key properties of (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide?
(2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 269.34 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 163730603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).