methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate

C14H24N2O4 — CID 114945591

IUPACmethyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2)11-9(6-5-7-20-11)14(13,15)12(18)16(3)8-10(17)19-4/h9,11H,5-8,15H2,1-4H3
InChIKeyBZZYLGPRVNBKKA-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.15
Rot. Bonds3

About methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate

methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate (PubChem CID 114945591) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
PubChem CID114945591
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2)11-9(6-5-7-20-11)14(13,15)12(18)16(3)8-10(17)19-4/h9,11H,5-8,15H2,1-4H3
InChIKeyBZZYLGPRVNBKKA-UHFFFAOYSA-N
XLogP0.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate with MolForge

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Related Compounds

2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945102
7-amino-N,8,8-trimethyl-N-(oxan-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945462
7-amino-N-(2-amino-2-oxoethyl)-N-ethyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 103101969
7-amino-N,8,8-trimethyl-N-(thiophen-3-ylmethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945364
6-amino-N-butyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945095
6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106915296
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-prop-2-enylamino]acetic acid
CID 114946331
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
7-amino-N-(4-methoxybutan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946189
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate (CID 114945591) is methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate?
The InChIKey is BZZYLGPRVNBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)11-9(6-5-7-20-11)14(13,15)12(18)16(3)8-10(17)19-4/h9,11H,5-8,15H2,1-4H3.
What are the key properties of methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate?
methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate has a molecular weight of 284.36 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-methylamino]acetate is sourced from PubChem (CID 114945591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).