[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone

C9H16N2O2 — CID 107220452

IUPAC[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESNCC1(C(=O)N2CC(CO)C2)CC1
InChIInChI=1S/C9H16N2O2/c10-6-9(1-2-9)8(13)11-3-7(4-11)5-12/h7,12H,1-6,10H2
InChIKeyRUUKNGYYVKOQCB-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.82
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone

[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 107220452) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID107220452
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESNCC1(C(=O)N2CC(CO)C2)CC1
InChIInChI=1S/C9H16N2O2/c10-6-9(1-2-9)8(13)11-3-7(4-11)5-12/h7,12H,1-6,10H2
InChIKeyRUUKNGYYVKOQCB-UHFFFAOYSA-N
XLogP-0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.82
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-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 107220452) is [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is NCC1(C(=O)N2CC(CO)C2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is RUUKNGYYVKOQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-9(1-2-9)8(13)11-3-7(4-11)5-12/h7,12H,1-6,10H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 184.24 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 107220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).