N-(3-aminocyclobutyl)-3-methoxypropanamide

C8H16N2O2 — CID 62590795

IUPACN-(3-aminocyclobutyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-3-2-8(11)10-7-4-6(9)5-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyKLLAOZDFLVOCLF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds4

About N-(3-aminocyclobutyl)-3-methoxypropanamide

N-(3-aminocyclobutyl)-3-methoxypropanamide (PubChem CID 62590795) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-methoxypropanamide
PubChem CID62590795
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(3-aminocyclobutyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-3-2-8(11)10-7-4-6(9)5-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyKLLAOZDFLVOCLF-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-methoxypropanamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-methoxypropanamide (CID 62590795) is N-(3-aminocyclobutyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-methoxypropanamide is COCCC(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-methoxypropanamide?
The InChIKey is KLLAOZDFLVOCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-3-2-8(11)10-7-4-6(9)5-7/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of N-(3-aminocyclobutyl)-3-methoxypropanamide?
N-(3-aminocyclobutyl)-3-methoxypropanamide has a molecular weight of 172.23 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-methoxypropanamide is sourced from PubChem (CID 62590795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).