N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane

C9H20N2O2 — CID 158406361

IUPACN-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane
SMILESC.CCC(=O)NCC1(O)CN(C)C1
InChIInChI=1S/C8H16N2O2.CH4/c1-3-7(11)9-4-8(12)5-10(2)6-8;/h12H,3-6H2,1-2H3,(H,9,11);1H4
InChIKeyGYTAZVZMOSDHRF-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.17
Rot. Bonds3

About N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane

N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane (PubChem CID 158406361) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane.

Molecular Properties

Compound NameN-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane
PubChem CID158406361
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane
SMILESC.CCC(=O)NCC1(O)CN(C)C1
InChIInChI=1S/C8H16N2O2.CH4/c1-3-7(11)9-4-8(12)5-10(2)6-8;/h12H,3-6H2,1-2H3,(H,9,11);1H4
InChIKeyGYTAZVZMOSDHRF-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propanamide
CID 155183393
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
CID 65106366
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]propanamide
CID 145046191
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride
CID 154887899

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane?
The IUPAC name of N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane (CID 158406361) is N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane.
What is the SMILES notation for N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane?
The canonical SMILES for N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane is C.CCC(=O)NCC1(O)CN(C)C1.
What is the InChIKey of N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane?
The InChIKey is GYTAZVZMOSDHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.CH4/c1-3-7(11)9-4-8(12)5-10(2)6-8;/h12H,3-6H2,1-2H3,(H,9,11);1H4.
What are the key properties of N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane?
N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane has a molecular weight of 188.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-methylazetidin-3-yl)methyl]propanamide;methane is sourced from PubChem (CID 158406361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).