(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C11H20N2O2 — CID 107219940

IUPAC(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-4-10(15)7-13(8-10)9(14)11(12)5-3-6-11/h15H,2-8,12H2,1H3
InChIKeySMCIWSOJGKYYOS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.24
Rot. Bonds3

About (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107219940) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107219940
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-4-10(15)7-13(8-10)9(14)11(12)5-3-6-11/h15H,2-8,12H2,1H3
InChIKeySMCIWSOJGKYYOS-UHFFFAOYSA-N
XLogP0.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107219940) is (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)C2(N)CCC2)C1.
What is the InChIKey of (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is SMCIWSOJGKYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-4-10(15)7-13(8-10)9(14)11(12)5-3-6-11/h15H,2-8,12H2,1H3.
What are the key properties of (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107219940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).