[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone

C9H16N2O2 — CID 107219374

IUPAC[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C9H16N2O2/c1-8(13)5-11(6-8)7(12)9(4-10)2-3-9/h13H,2-6,10H2,1H3
InChIKeyITVAYNUTKFHGJT-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.68
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone

[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107219374) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107219374
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C9H16N2O2/c1-8(13)5-11(6-8)7(12)9(4-10)2-3-9/h13H,2-6,10H2,1H3
InChIKeyITVAYNUTKFHGJT-UHFFFAOYSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107219374) is [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)C2(CN)CC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is ITVAYNUTKFHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(13)5-11(6-8)7(12)9(4-10)2-3-9/h13H,2-6,10H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107219374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).