2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide

C12H23N3O — CID 66188303

IUPAC2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)C1CNC1
InChIInChI=1S/C12H23N3O/c1-9(15(2)11-7-13-8-11)12(16)14-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyVCMUARVQVUBVFE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds4

About 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide

2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide (PubChem CID 66188303) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
PubChem CID66188303
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)C1CNC1
InChIInChI=1S/C12H23N3O/c1-9(15(2)11-7-13-8-11)12(16)14-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyVCMUARVQVUBVFE-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122448
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
N-cyclopropyl-2-[(3-hydroxycyclobutyl)-methylamino]propanamide
CID 136530890
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
CID 66184816
N-methyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63643925
N-cyclopropyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102636298
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63644074
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide (CID 66188303) is 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide?
The InChIKey is VCMUARVQVUBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(15(2)11-7-13-8-11)12(16)14-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide?
2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 66188303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).