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

C14H26N4O3 — CID 139374063

IUPAC(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide
SMILESC[C@@H](O)[C@H](NCC1CCC2(CNC2=O)N1C)C(=O)N(C)C
InChIInChI=1S/C14H26N4O3/c1-9(19)11(12(20)17(2)3)15-7-10-5-6-14(18(10)4)8-16-13(14)21/h9-11,15,19H,5-8H2,1-4H3,(H,16,21)/t9-,10?,11+,14?/m1/s1
InChIKeyVNMWHNRAJVDEOZ-ICYKSAPQSA-N
MW298.39 g/mol
LogP-1.62
Rot. Bonds5

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

(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide (PubChem CID 139374063) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide
PubChem CID139374063
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide
SMILESC[C@@H](O)[C@H](NCC1CCC2(CNC2=O)N1C)C(=O)N(C)C
InChIInChI=1S/C14H26N4O3/c1-9(19)11(12(20)17(2)3)15-7-10-5-6-14(18(10)4)8-16-13(14)21/h9-11,15,19H,5-8H2,1-4H3,(H,16,21)/t9-,10?,11+,14?/m1/s1
InChIKeyVNMWHNRAJVDEOZ-ICYKSAPQSA-N
XLogP-1.62
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide (CID 139374063) is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide is C[C@@H](O)[C@H](NCC1CCC2(CNC2=O)N1C)C(=O)N(C)C.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide?
The InChIKey is VNMWHNRAJVDEOZ-ICYKSAPQSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(19)11(12(20)17(2)3)15-7-10-5-6-14(18(10)4)8-16-13(14)21/h9-11,15,19H,5-8H2,1-4H3,(H,16,21)/t9-,10?,11+,14?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide?
(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide has a molecular weight of 298.39 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide is sourced from PubChem (CID 139374063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).