methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate

C13H21NO3 — CID 79776867

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

About methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate

methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate (PubChem CID 79776867) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
PubChem CID79776867
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO3/c1-3-7-14(8-11(15)17-2)13(16)12-9-5-4-6-10(9)12/h9-10,12H,3-8H2,1-2H3
InChIKeyCJQRJOBQIRJVBA-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

ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79796106
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
methyl 2-[propyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetate
CID 65160300
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
CID 54871719
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate (CID 79776867) is methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C1C2CCCC21.
What is the InChIKey of methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The InChIKey is CJQRJOBQIRJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-7-14(8-11(15)17-2)13(16)12-9-5-4-6-10(9)12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate 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 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 79776867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).