amino 1-methylcyclobutane-1-carboxylate

C6H11NO2 — CID 118650496

IUPACamino 1-methylcyclobutane-1-carboxylate
SMILESCC1(C(=O)ON)CCC1
InChIInChI=1S/C6H11NO2/c1-6(3-2-4-6)5(8)9-7/h2-4,7H2,1H3
InChIKeyNOPQWEUFENKFFU-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.59
Rot. Bonds1

About amino 1-methylcyclobutane-1-carboxylate

amino 1-methylcyclobutane-1-carboxylate (PubChem CID 118650496) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is amino 1-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameamino 1-methylcyclobutane-1-carboxylate
PubChem CID118650496
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameamino 1-methylcyclobutane-1-carboxylate
SMILESCC1(C(=O)ON)CCC1
InChIInChI=1S/C6H11NO2/c1-6(3-2-4-6)5(8)9-7/h2-4,7H2,1H3
InChIKeyNOPQWEUFENKFFU-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 1-methylcyclobutane-1-carboxylate?
The IUPAC name of amino 1-methylcyclobutane-1-carboxylate (CID 118650496) is amino 1-methylcyclobutane-1-carboxylate.
What is the SMILES notation for amino 1-methylcyclobutane-1-carboxylate?
The canonical SMILES for amino 1-methylcyclobutane-1-carboxylate is CC1(C(=O)ON)CCC1.
What is the InChIKey of amino 1-methylcyclobutane-1-carboxylate?
The InChIKey is NOPQWEUFENKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(3-2-4-6)5(8)9-7/h2-4,7H2,1H3.
What are the key properties of amino 1-methylcyclobutane-1-carboxylate?
amino 1-methylcyclobutane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 1-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 118650496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).