(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone

C8H14N2O2 — CID 118473852

IUPAC(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)C2(O)CC2)C1
InChIInChI=1S/C8H14N2O2/c1-9-6-4-10(5-6)7(11)8(12)2-3-8/h6,9,12H,2-5H2,1H3
InChIKeyRDOXNHOBMFZVRA-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.06
Rot. Bonds2

About (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone

(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone (PubChem CID 118473852) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
PubChem CID118473852
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
SMILESCNC1CN(C(=O)C2(O)CC2)C1
InChIInChI=1S/C8H14N2O2/c1-9-6-4-10(5-6)7(11)8(12)2-3-8/h6,9,12H,2-5H2,1H3
InChIKeyRDOXNHOBMFZVRA-UHFFFAOYSA-N
XLogP-1.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone (CID 118473852) is (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone is CNC1CN(C(=O)C2(O)CC2)C1.
What is the InChIKey of (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone?
The InChIKey is RDOXNHOBMFZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-6-4-10(5-6)7(11)8(12)2-3-8/h6,9,12H,2-5H2,1H3.
What are the key properties of (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone?
(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone has a molecular weight of 170.21 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 118473852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).