2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide

C9H18N2O2 — CID 63282373

IUPAC2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-9(13)7(3)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyBUQJKLRKEMKKON-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds3

About 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide

2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 63282373) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID63282373
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-9(13)7(3)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyBUQJKLRKEMKKON-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376
2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 79994470
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
CID 79411085
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide (CID 63282373) is 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is BUQJKLRKEMKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)10-9(13)7(3)11-4-8(12)5-11/h6-8,12H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide?
2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 63282373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).