methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate

C11H19NO3 — CID 62389460

IUPACmethyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(5-3-6-11)12-8-9-4-2-7-15-9/h9,12H,2-8H2,1H3
InChIKeyZXCWTZCYBAMDQL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds4

About methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate

methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate (PubChem CID 62389460) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
PubChem CID62389460
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(5-3-6-11)12-8-9-4-2-7-15-9/h9,12H,2-8H2,1H3
InChIKeyZXCWTZCYBAMDQL-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 65085366
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
methyl 1-(oxolan-2-ylmethylamino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 62708451
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
methyl 4,4-dimethyl-3-(oxolan-2-ylmethylamino)thiane-3-carboxylate
CID 79948917
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
CID 106495655

Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate (CID 62389460) is methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate is COC(=O)C1(NCC2CCCO2)CCC1.
What is the InChIKey of methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate?
The InChIKey is ZXCWTZCYBAMDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)11(5-3-6-11)12-8-9-4-2-7-15-9/h9,12H,2-8H2,1H3.
What are the key properties of methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate?
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).