methyl 4-(cyclopropylamino)oxane-4-carboxylate

C10H17NO3 — CID 60796151

IUPACmethyl 4-(cyclopropylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCOCC1
InChIInChI=1S/C10H17NO3/c1-13-9(12)10(11-8-2-3-8)4-6-14-7-5-10/h8,11H,2-7H2,1H3
InChIKeyOJODBIFLOSMLBR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds3

About methyl 4-(cyclopropylamino)oxane-4-carboxylate

methyl 4-(cyclopropylamino)oxane-4-carboxylate (PubChem CID 60796151) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)oxane-4-carboxylate
PubChem CID60796151
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 4-(cyclopropylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCOCC1
InChIInChI=1S/C10H17NO3/c1-13-9(12)10(11-8-2-3-8)4-6-14-7-5-10/h8,11H,2-7H2,1H3
InChIKeyOJODBIFLOSMLBR-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
methyl 1-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79656496
methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
CID 62977893
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
CID 64513580
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
CID 65094509

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)oxane-4-carboxylate?
The IUPAC name of methyl 4-(cyclopropylamino)oxane-4-carboxylate (CID 60796151) is methyl 4-(cyclopropylamino)oxane-4-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylamino)oxane-4-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylamino)oxane-4-carboxylate is COC(=O)C1(NC2CC2)CCOCC1.
What is the InChIKey of methyl 4-(cyclopropylamino)oxane-4-carboxylate?
The InChIKey is OJODBIFLOSMLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-9(12)10(11-8-2-3-8)4-6-14-7-5-10/h8,11H,2-7H2,1H3.
What are the key properties of methyl 4-(cyclopropylamino)oxane-4-carboxylate?
methyl 4-(cyclopropylamino)oxane-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)oxane-4-carboxylate is sourced from PubChem (CID 60796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).