methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate

C13H21NO3 — CID 79600655

IUPACmethyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO3/c1-14(8-4-7-11(15)17-2)13(16)12-9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3
InChIKeyCYXJQGAMRKGQML-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.44
Rot. Bonds5

About methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate

methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate (PubChem CID 79600655) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
PubChem CID79600655
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO3/c1-14(8-4-7-11(15)17-2)13(16)12-9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3
InChIKeyCYXJQGAMRKGQML-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
methyl 4-[adamantane-2-carbonyl(methyl)amino]butanoate
CID 78915778
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
methyl 4-[methyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
CID 65160354
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646

Frequently Asked Questions

What is the IUPAC name of methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate (CID 79600655) is methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C1C2CCCC21.
What is the InChIKey of methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate?
The InChIKey is CYXJQGAMRKGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(8-4-7-11(15)17-2)13(16)12-9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate?
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate has a molecular weight of 239.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate is sourced from PubChem (CID 79600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).