methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate

C11H20N2O3 — CID 81172837

IUPACmethyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-3-5-9(14)16-2)10(15)11(12)6-4-7-11/h3-8,12H2,1-2H3
InChIKeyMEIIZTSQPLUKBF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds5

About methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate

methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate (PubChem CID 81172837) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
PubChem CID81172837
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-3-5-9(14)16-2)10(15)11(12)6-4-7-11/h3-8,12H2,1-2H3
InChIKeyMEIIZTSQPLUKBF-UHFFFAOYSA-N
XLogP0.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate (CID 81172837) is methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)C1(N)CCC1.
What is the InChIKey of methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate?
The InChIKey is MEIIZTSQPLUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(8-3-5-9(14)16-2)10(15)11(12)6-4-7-11/h3-8,12H2,1-2H3.
What are the key properties of methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate?
methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate is sourced from PubChem (CID 81172837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).