methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate

C15H21NO3 — CID 79648611

IUPACmethyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-3-16-15(14(17)18-2)10-9-13(11-15)19-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyAWDJIWKDSMOJAM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.14
Rot. Bonds5

About methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate (PubChem CID 79648611) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
PubChem CID79648611
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-3-16-15(14(17)18-2)10-9-13(11-15)19-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyAWDJIWKDSMOJAM-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
methyl 1-(ethylamino)-3-(4-fluorophenoxy)cyclohexane-1-carboxylate
CID 79635107
3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648842
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate (CID 79648611) is methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(Oc2ccccc2)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate?
The InChIKey is AWDJIWKDSMOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16-15(14(17)18-2)10-9-13(11-15)19-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate is sourced from PubChem (CID 79648611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).