(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide

C15H26N4O4 — CID 139374054

IUPAC(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
SMILESCC(C)C(=O)N1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C15H26N4O4/c1-8(2)13(22)19-10(4-5-15(19)7-18-14(15)23)6-17-11(9(3)20)12(16)21/h8-11,17,20H,4-7H2,1-3H3,(H2,16,21)(H,18,23)/t9-,10?,11+,15?/m1/s1
InChIKeyGWSHBERAPOYYSF-VQEBWTGLSA-N
MW326.40 g/mol
LogP-1.67
Rot. Bonds6

About (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide

(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide (PubChem CID 139374054) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
PubChem CID139374054
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
SMILESCC(C)C(=O)N1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C15H26N4O4/c1-8(2)13(22)19-10(4-5-15(19)7-18-14(15)23)6-17-11(9(3)20)12(16)21/h8-11,17,20H,4-7H2,1-3H3,(H2,16,21)(H,18,23)/t9-,10?,11+,15?/m1/s1
InChIKeyGWSHBERAPOYYSF-VQEBWTGLSA-N
XLogP-1.67
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide (CID 139374054) is (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide is CC(C)C(=O)N1C(CN[C@H](C(N)=O)[C@@H](C)O)CCC12CNC2=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
The InChIKey is GWSHBERAPOYYSF-VQEBWTGLSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-8(2)13(22)19-10(4-5-15(19)7-18-14(15)23)6-17-11(9(3)20)12(16)21/h8-11,17,20H,4-7H2,1-3H3,(H2,16,21)(H,18,23)/t9-,10?,11+,15?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide?
(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide has a molecular weight of 326.40 g/mol, XLogP of -1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide is sourced from PubChem (CID 139374054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).