methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate

C11H17NO4 — CID 136580676

IUPACmethyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2CCCO2)CCC1
InChIInChI=1S/C11H17NO4/c1-15-10(14)11(5-3-6-11)12-9(13)8-4-2-7-16-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyJUNNVXWMYNKJIN-MRVPVSSYSA-N
MW227.26 g/mol
LogP0.38
Rot. Bonds3

About methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate

methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 136580676) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate
PubChem CID136580676
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2CCCO2)CCC1
InChIInChI=1S/C11H17NO4/c1-15-10(14)11(5-3-6-11)12-9(13)8-4-2-7-16-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyJUNNVXWMYNKJIN-MRVPVSSYSA-N
XLogP0.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate (CID 136580676) is methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate is COC(=O)C1(NC(=O)[C@H]2CCCO2)CCC1.
What is the InChIKey of methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is JUNNVXWMYNKJIN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-10(14)11(5-3-6-11)12-9(13)8-4-2-7-16-8/h8H,2-7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate?
methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 136580676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).