1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide

C8H14N2O2 — CID 81168637

IUPAC1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2COC2)CCC1
InChIInChI=1S/C8H14N2O2/c9-8(2-1-3-8)7(11)10-6-4-12-5-6/h6H,1-5,9H2,(H,10,11)
InChIKeyNMRMLTDGIHVTMO-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.62
Rot. Bonds2

About 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide

1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide (PubChem CID 81168637) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
PubChem CID81168637
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NC2COC2)CCC1
InChIInChI=1S/C8H14N2O2/c9-8(2-1-3-8)7(11)10-6-4-12-5-6/h6H,1-5,9H2,(H,10,11)
InChIKeyNMRMLTDGIHVTMO-UHFFFAOYSA-N
XLogP-0.62
TPSA64.35 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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide (CID 81168637) is 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide is NC1(C(=O)NC2COC2)CCC1.
What is the InChIKey of 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is NMRMLTDGIHVTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(2-1-3-8)7(11)10-6-4-12-5-6/h6H,1-5,9H2,(H,10,11).
What are the key properties of 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide?
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81168637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).