methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate

C16H20FNO3 — CID 79647932

IUPACmethyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO3/c1-20-15(19)16(18-12-5-6-12)8-7-14(10-16)21-13-4-2-3-11(17)9-13/h2-4,9,12,14,18H,5-8,10H2,1H3
InChIKeyMIEDBZUFCXHIQN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.42
Rot. Bonds5

About methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate (PubChem CID 79647932) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
PubChem CID79647932
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO3/c1-20-15(19)16(18-12-5-6-12)8-7-14(10-16)21-13-4-2-3-11(17)9-13/h2-4,9,12,14,18H,5-8,10H2,1H3
InChIKeyMIEDBZUFCXHIQN-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
methyl 3-(3,5-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79635434
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
1-(cyclopropylamino)-3-(2,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79647458
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate (CID 79647932) is methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate?
The InChIKey is MIEDBZUFCXHIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-15(19)16(18-12-5-6-12)8-7-14(10-16)21-13-4-2-3-11(17)9-13/h2-4,9,12,14,18H,5-8,10H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).