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

C12H19NO3 — CID 79601174

IUPACethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1C2CCCC21
InChIInChI=1S/C12H19NO3/c1-3-16-10(14)7-13(2)12(15)11-8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyNTWWZIVITKDWJY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.05
Rot. Bonds4

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

ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate (PubChem CID 79601174) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
PubChem CID79601174
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1C2CCCC21
InChIInChI=1S/C12H19NO3/c1-3-16-10(14)7-13(2)12(15)11-8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyNTWWZIVITKDWJY-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.05
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
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 55003930
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
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 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate (CID 79601174) is ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)C1C2CCCC21.
What is the InChIKey of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate?
The InChIKey is NTWWZIVITKDWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-10(14)7-13(2)12(15)11-8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate?
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate has a molecular weight of 225.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 79601174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).