methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate

C15H21NO4 — CID 79648377

IUPACmethyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
SMILESCCOc1ccccc1OC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C15H21NO4/c1-3-19-12-6-4-5-7-13(12)20-11-8-9-15(16,10-11)14(17)18-2/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyOROVOMBWKYEJRR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.89
Rot. Bonds5

About methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate

methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate (PubChem CID 79648377) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
PubChem CID79648377
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
SMILESCCOc1ccccc1OC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C15H21NO4/c1-3-19-12-6-4-5-7-13(12)20-11-8-9-15(16,10-11)14(17)18-2/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyOROVOMBWKYEJRR-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

methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
CID 79648707
1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
CID 79637862
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
methyl 1-amino-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxylate
CID 79648235
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
1-amino-3-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 79648383
1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
N-carbamoyl-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47073341
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate (CID 79648377) is methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate is CCOc1ccccc1OC1CCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate?
The InChIKey is OROVOMBWKYEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-12-6-4-5-7-13(12)20-11-8-9-15(16,10-11)14(17)18-2/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate?
methyl 1-amino-3-(2-ethoxyphenoxy)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 methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).