methyl 3-aminocyclobutane-1-carboxylate

C6H11NO2 — CID 39871617

IUPACmethyl 3-aminocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(N)C1
InChIInChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3
InChIKeyXWBSFYWZNUKOEY-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds1

About methyl 3-aminocyclobutane-1-carboxylate

methyl 3-aminocyclobutane-1-carboxylate (PubChem CID 39871617) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 3-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminocyclobutane-1-carboxylate
PubChem CID39871617
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 3-aminocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(N)C1
InChIInChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3
InChIKeyXWBSFYWZNUKOEY-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminocyclobutane-1-carboxylate?
The IUPAC name of methyl 3-aminocyclobutane-1-carboxylate (CID 39871617) is methyl 3-aminocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-aminocyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-aminocyclobutane-1-carboxylate is COC(=O)C1CC(N)C1.
What is the InChIKey of methyl 3-aminocyclobutane-1-carboxylate?
The InChIKey is XWBSFYWZNUKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3.
What are the key properties of methyl 3-aminocyclobutane-1-carboxylate?
methyl 3-aminocyclobutane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 39871617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).