2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride

C14H26ClN3O3 — CID 160590199

IUPAC2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride
SMILESCN1CC(CC(=O)O)C1.Cl.O=C(CC1CNC1)NC1CC1
InChIInChI=1S/C8H14N2O.C6H11NO2.ClH/c11-8(10-7-1-2-7)3-6-4-9-5-6;1-7-3-5(4-7)2-6(8)9;/h6-7,9H,1-5H2,(H,10,11);5H,2-4H2,1H3,(H,8,9);1H
InChIKeyQIIQFULHONMRKQ-UHFFFAOYSA-N
MW319.83 g/mol
LogP0.32
Rot. Bonds5

About 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride

2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride (PubChem CID 160590199) has the molecular formula C14H26ClN3O3 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride
PubChem CID160590199
Molecular FormulaC14H26ClN3O3
Molecular Weight319.83 g/mol
Exact Mass319.17
IUPAC Name2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride
SMILESCN1CC(CC(=O)O)C1.Cl.O=C(CC1CNC1)NC1CC1
InChIInChI=1S/C8H14N2O.C6H11NO2.ClH/c11-8(10-7-1-2-7)3-6-4-9-5-6;1-7-3-5(4-7)2-6(8)9;/h6-7,9H,1-5H2,(H,10,11);5H,2-4H2,1H3,(H,8,9);1H
InChIKeyQIIQFULHONMRKQ-UHFFFAOYSA-N
XLogP0.32
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride (CID 160590199) is 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride is CN1CC(CC(=O)O)C1.Cl.O=C(CC1CNC1)NC1CC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride?
The InChIKey is QIIQFULHONMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C6H11NO2.ClH/c11-8(10-7-1-2-7)3-6-4-9-5-6;1-7-3-5(4-7)2-6(8)9;/h6-7,9H,1-5H2,(H,10,11);5H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride?
2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 160590199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).