methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate

C14H19NO4 — CID 79648378

IUPACmethyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Oc2cccc(OC)c2)C1
InChIInChI=1S/C14H19NO4/c1-17-10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(16)18-2/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyMUSVZWKQLKEWJC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds4

About methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate

methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate (PubChem CID 79648378) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
PubChem CID79648378
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Oc2cccc(OC)c2)C1
InChIInChI=1S/C14H19NO4/c1-17-10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(16)18-2/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyMUSVZWKQLKEWJC-UHFFFAOYSA-N
XLogP1.50
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
CID 79649390
methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
CID 79648707
methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
CID 79648377
1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 79648268
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
methyl 1-amino-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxylate
CID 79648235
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate (CID 79648378) is methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(Oc2cccc(OC)c2)C1.
What is the InChIKey of methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate?
The InChIKey is MUSVZWKQLKEWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(16)18-2/h3-5,8,12H,6-7,9,15H2,1-2H3.
What are the key properties of methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate?
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).