2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide

C9H17N3O2 — CID 64611012

IUPAC2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CC1CNC1
InChIInChI=1S/C9H17N3O2/c1-6(9(14)10-2)12-8(13)3-7-4-11-5-7/h6-7,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNOPWMIBRFZMAKN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.15
Rot. Bonds4

About 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide

2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide (PubChem CID 64611012) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
PubChem CID64611012
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CC1CNC1
InChIInChI=1S/C9H17N3O2/c1-6(9(14)10-2)12-8(13)3-7-4-11-5-7/h6-7,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNOPWMIBRFZMAKN-UHFFFAOYSA-N
XLogP-1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
N-methyl-2-[(2-morpholin-2-ylacetyl)amino]propanamide
CID 66428310
2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
CID 115739602
2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 64610380
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
CID 81392554
2-[(2-piperidin-4-ylacetyl)amino]-N-propylpropanamide
CID 54980022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide (CID 64611012) is 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)CC1CNC1.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide?
The InChIKey is NOPWMIBRFZMAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(9(14)10-2)12-8(13)3-7-4-11-5-7/h6-7,11H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide?
2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 64611012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).