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

C15H29NO3 — CID 79649126

IUPACmethyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C15H29NO3/c1-6-10-16-15(13(17)18-5)9-8-12(11-15)19-14(3,4)7-2/h12,16H,6-11H2,1-5H3
InChIKeyFLVREULMPACRIB-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds7

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

methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79649126) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79649126
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C15H29NO3/c1-6-10-16-15(13(17)18-5)9-8-12(11-15)19-14(3,4)7-2/h12,16H,6-11H2,1-5H3
InChIKeyFLVREULMPACRIB-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648737
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644428
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
methyl 3-phenylsulfanyl-1-(propylamino)cyclopentane-1-carboxylate
CID 79653522
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79647415

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate (CID 79649126) is methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCC(OC(C)(C)CC)C1.
What is the InChIKey of methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is FLVREULMPACRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-10-16-15(13(17)18-5)9-8-12(11-15)19-14(3,4)7-2/h12,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate?
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).