N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide

C10H20N2O3 — CID 106254571

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-10(14,3-4-15-2)7-12-9(13)8-5-11-6-8/h8,11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyZANCEBHOEKEXLF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide (PubChem CID 106254571) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
PubChem CID106254571
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
SMILESCOCCC(C)(O)CNC(=O)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-10(14,3-4-15-2)7-12-9(13)8-5-11-6-8/h8,11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyZANCEBHOEKEXLF-UHFFFAOYSA-N
XLogP-0.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide (CID 106254571) is N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide is COCCC(C)(O)CNC(=O)C1CNC1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide?
The InChIKey is ZANCEBHOEKEXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(14,3-4-15-2)7-12-9(13)8-5-11-6-8/h8,11,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide is sourced from PubChem (CID 106254571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).