methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate

C14H19NO2 — CID 66394683

IUPACmethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)CC1Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-15(10-14(16)17-2)9-12-8-11-6-4-5-7-13(11)12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyCRJNBCLNQJGOIY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate

methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate (PubChem CID 66394683) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate
PubChem CID66394683
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)CC1Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-15(10-14(16)17-2)9-12-8-11-6-4-5-7-13(11)12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyCRJNBCLNQJGOIY-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate with MolForge

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Related Compounds

methyl 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]propanoate
CID 66397204
methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate
CID 115536740
2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(2-methylpropyl)amino]acetic acid
CID 66418561
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)propan-1-amine
CID 66394694
methyl 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79228338
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]propanimidamide
CID 66418926
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
CID 115882041
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 66416967
methyl 2-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]acetate
CID 106703120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate?
The IUPAC name of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate (CID 66394683) is methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate.
What is the SMILES notation for methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate?
The canonical SMILES for methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate is CCN(CC(=O)OC)CC1Cc2ccccc21.
What is the InChIKey of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate?
The InChIKey is CRJNBCLNQJGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(10-14(16)17-2)9-12-8-11-6-4-5-7-13(11)12/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate?
methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate has a molecular weight of 233.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate is sourced from PubChem (CID 66394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).