(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate

C10H13NO5 — CID 156835465

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate
SMILESCc1oc(=O)oc1COC(=O)C1(N)CCC1
InChIInChI=1S/C10H13NO5/c1-6-7(16-9(13)15-6)5-14-8(12)10(11)3-2-4-10/h2-5,11H2,1H3
InChIKeyIJJPUUAOCHNFDC-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.47
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate (PubChem CID 156835465) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate
PubChem CID156835465
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate
SMILESCc1oc(=O)oc1COC(=O)C1(N)CCC1
InChIInChI=1S/C10H13NO5/c1-6-7(16-9(13)15-6)5-14-8(12)10(11)3-2-4-10/h2-5,11H2,1H3
InChIKeyIJJPUUAOCHNFDC-UHFFFAOYSA-N
XLogP0.47
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate (CID 156835465) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate is Cc1oc(=O)oc1COC(=O)C1(N)CCC1.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate?
The InChIKey is IJJPUUAOCHNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-6-7(16-9(13)15-6)5-14-8(12)10(11)3-2-4-10/h2-5,11H2,1H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 156835465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).