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

C16H21NO3 — CID 79649233

IUPACmethyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Oc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-19-15(18)16(17-12-7-8-12)10-9-14(11-16)20-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyIEEGYCZOZRDCPO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds5

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

methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate (PubChem CID 79649233) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
PubChem CID79649233
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(Oc2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-19-15(18)16(17-12-7-8-12)10-9-14(11-16)20-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyIEEGYCZOZRDCPO-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
1-(cyclopropylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79647928
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648737
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate (CID 79649233) is methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(Oc2ccccc2)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate?
The InChIKey is IEEGYCZOZRDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-15(18)16(17-12-7-8-12)10-9-14(11-16)20-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.28, 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-phenoxycyclopentane-1-carboxylate is sourced from PubChem (CID 79649233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).