N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide

C13H22N2O3 — CID 103557335

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC2C(N)C3CCOC32)CCC1
InChIInChI=1S/C13H22N2O3/c1-17-13(4-2-5-13)7-9(16)15-11-10(14)8-3-6-18-12(8)11/h8,10-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyCNIADVGGMZVSFE-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.18
Rot. Bonds4

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557335) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557335
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC2C(N)C3CCOC32)CCC1
InChIInChI=1S/C13H22N2O3/c1-17-13(4-2-5-13)7-9(16)15-11-10(14)8-3-6-18-12(8)11/h8,10-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyCNIADVGGMZVSFE-UHFFFAOYSA-N
XLogP0.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide (CID 103557335) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC2C(N)C3CCOC32)CCC1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is CNIADVGGMZVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-17-13(4-2-5-13)7-9(16)15-11-10(14)8-3-6-18-12(8)11/h8,10-12H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).