ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate

C15H21NO4 — CID 79649236

IUPACethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)15(16)9-8-13(10-15)20-12-6-4-11(18-2)5-7-12/h4-7,13H,3,8-10,16H2,1-2H3
InChIKeyBHAJTKIAVHWXSH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.89
Rot. Bonds5

About ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate

ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate (PubChem CID 79649236) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
PubChem CID79649236
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)15(16)9-8-13(10-15)20-12-6-4-11(18-2)5-7-12/h4-7,13H,3,8-10,16H2,1-2H3
InChIKeyBHAJTKIAVHWXSH-UHFFFAOYSA-N
XLogP1.89
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
CID 107709953
ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
CID 79649248
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
CID 79648377
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
ethyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79646696
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
diethyl 2-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]cyclobutane-1,1-dicarboxylate
CID 101202224
methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
CID 79648707

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate (CID 79649236) is ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(Oc2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate?
The InChIKey is BHAJTKIAVHWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-14(17)15(16)9-8-13(10-15)20-12-6-4-11(18-2)5-7-12/h4-7,13H,3,8-10,16H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).