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

C17H23NO2 — CID 115536740

IUPACmethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate
SMILESCOC(=O)CN(CC1Cc2ccccc21)C1CCCC1
InChIInChI=1S/C17H23NO2/c1-20-17(19)12-18(15-7-3-4-8-15)11-14-10-13-6-2-5-9-16(13)14/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3
InChIKeyHOGKSVWZJDQBJW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds5

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

methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate (PubChem CID 115536740) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate
PubChem CID115536740
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate
SMILESCOC(=O)CN(CC1Cc2ccccc21)C1CCCC1
InChIInChI=1S/C17H23NO2/c1-20-17(19)12-18(15-7-3-4-8-15)11-14-10-13-6-2-5-9-16(13)14/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3
InChIKeyHOGKSVWZJDQBJW-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]acetate
CID 66394683
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclopentanamine
CID 80673360
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 66394307
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)cyclobutanamine
CID 102861379
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclobutanamine
CID 102861027
methyl 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]propanoate
CID 66397204
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(2-methylpropyl)amino]acetic acid
CID 66418561
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate?
The IUPAC name of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate (CID 115536740) is methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate.
What is the SMILES notation for methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate?
The canonical SMILES for methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate is COC(=O)CN(CC1Cc2ccccc21)C1CCCC1.
What is the InChIKey of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate?
The InChIKey is HOGKSVWZJDQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-17(19)12-18(15-7-3-4-8-15)11-14-10-13-6-2-5-9-16(13)14/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3.
What are the key properties of methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate?
methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate has a molecular weight of 273.38 g/mol, XLogP of 2.74, 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(cyclopentyl)amino]acetate is sourced from PubChem (CID 115536740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).