methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate

C15H27NO3 — CID 79648737

IUPACmethyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCC(C)(C)OC1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C15H27NO3/c1-5-14(2,3)19-12-8-9-15(10-12,13(17)18-4)16-11-6-7-11/h11-12,16H,5-10H2,1-4H3
InChIKeyRIDYCVKJCTZDNH-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.41
Rot. Bonds6

About methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate (PubChem CID 79648737) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
PubChem CID79648737
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCC(C)(C)OC1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C15H27NO3/c1-5-14(2,3)19-12-8-9-15(10-12,13(17)18-4)16-11-6-7-11/h11-12,16H,5-10H2,1-4H3
InChIKeyRIDYCVKJCTZDNH-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
CID 79650666
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79656496
methyl 3-(cyclopentylmethoxy)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79635570

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate (CID 79648737) is methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate is CCC(C)(C)OC1CCC(NC2CC2)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The InChIKey is RIDYCVKJCTZDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-14(2,3)19-12-8-9-15(10-12,13(17)18-4)16-11-6-7-11/h11-12,16H,5-10H2,1-4H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).