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

C9H18N2O2 — CID 66091128

IUPACN-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide
SMILESCC(CCO)CNC(=O)C1CNC1
InChIInChI=1S/C9H18N2O2/c1-7(2-3-12)4-11-9(13)8-5-10-6-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyQIKISZGAJBAXQO-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.66
Rot. Bonds5

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

N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide (PubChem CID 66091128) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide
PubChem CID66091128
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide
SMILESCC(CCO)CNC(=O)C1CNC1
InChIInChI=1S/C9H18N2O2/c1-7(2-3-12)4-11-9(13)8-5-10-6-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyQIKISZGAJBAXQO-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide (CID 66091128) is N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide is CC(CCO)CNC(=O)C1CNC1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide?
The InChIKey is QIKISZGAJBAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2-3-12)4-11-9(13)8-5-10-6-8/h7-8,10,12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide is sourced from PubChem (CID 66091128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).