methyl 2-(cyclobutene-1-carbonylamino)acetate

C8H11NO3 — CID 24802879

IUPACmethyl 2-(cyclobutene-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CCC1
InChIInChI=1S/C8H11NO3/c1-12-7(10)5-9-8(11)6-3-2-4-6/h3H,2,4-5H2,1H3,(H,9,11)
InChIKeyPZNUTMFNJJTZMF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.00
Rot. Bonds3

About methyl 2-(cyclobutene-1-carbonylamino)acetate

methyl 2-(cyclobutene-1-carbonylamino)acetate (PubChem CID 24802879) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-(cyclobutene-1-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclobutene-1-carbonylamino)acetate
PubChem CID24802879
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 2-(cyclobutene-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)C1=CCC1
InChIInChI=1S/C8H11NO3/c1-12-7(10)5-9-8(11)6-3-2-4-6/h3H,2,4-5H2,1H3,(H,9,11)
InChIKeyPZNUTMFNJJTZMF-UHFFFAOYSA-N
XLogP-0.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclobutene-1-carbonylamino)acetate?
The IUPAC name of methyl 2-(cyclobutene-1-carbonylamino)acetate (CID 24802879) is methyl 2-(cyclobutene-1-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(cyclobutene-1-carbonylamino)acetate?
The canonical SMILES for methyl 2-(cyclobutene-1-carbonylamino)acetate is COC(=O)CNC(=O)C1=CCC1.
What is the InChIKey of methyl 2-(cyclobutene-1-carbonylamino)acetate?
The InChIKey is PZNUTMFNJJTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-7(10)5-9-8(11)6-3-2-4-6/h3H,2,4-5H2,1H3,(H,9,11).
What are the key properties of methyl 2-(cyclobutene-1-carbonylamino)acetate?
methyl 2-(cyclobutene-1-carbonylamino)acetate has a molecular weight of 169.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclobutene-1-carbonylamino)acetate is sourced from PubChem (CID 24802879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).