N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide

C8H14N2O3 — CID 63107332

IUPACN-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-3-2-8(13)10-4-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11)
InChIKeyQAGPLXRLHQNIAD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.28
Rot. Bonds3

About N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide

N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 63107332) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
PubChem CID63107332
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-3-2-8(13)10-4-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11)
InChIKeyQAGPLXRLHQNIAD-UHFFFAOYSA-N
XLogP-1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
N-[3-[(7R,8aS)-7-hydroxy-2-(2-methylpropanoyl)spiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1'-yl]-3-oxopropyl]acetamide
CID 125418447
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide (CID 63107332) is N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CC(O)C1.
What is the InChIKey of N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is QAGPLXRLHQNIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-3-2-8(13)10-4-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11).
What are the key properties of N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide?
N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 63107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).