methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate

C16H23NO2 — CID 64513799

IUPACmethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCC1CCC(NCc2ccccc2)(C(=O)OC)C1
InChIInChI=1S/C16H23NO2/c1-3-13-9-10-16(11-13,15(18)19-2)17-12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeyMPMGBDUGBYFDOW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds5

About methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate

methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate (PubChem CID 64513799) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
PubChem CID64513799
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCC1CCC(NCc2ccccc2)(C(=O)OC)C1
InChIInChI=1S/C16H23NO2/c1-3-13-9-10-16(11-13,15(18)19-2)17-12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeyMPMGBDUGBYFDOW-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513801
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
methyl 3-ethyl-1-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 64513340
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
methyl 4-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796895
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
CID 177254785

Frequently Asked Questions

What is the IUPAC name of methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate (CID 64513799) is methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate is CCC1CCC(NCc2ccccc2)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
The InChIKey is MPMGBDUGBYFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-9-10-16(11-13,15(18)19-2)17-12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3.
What are the key properties of methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate?
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 64513799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).