ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate

C13H26N2O3 — CID 79655725

IUPACethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(C)C(C)COC)C1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(14)7-6-11(8-13)15(3)10(2)9-17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyCVKMCBJSEPICGL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds6

About ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate

ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate (PubChem CID 79655725) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
PubChem CID79655725
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(C)C(C)COC)C1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(14)7-6-11(8-13)15(3)10(2)9-17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyCVKMCBJSEPICGL-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
CID 79655748
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655552
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
[1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentyl]methanol
CID 79655891
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate (CID 79655725) is ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N(C)C(C)COC)C1.
What is the InChIKey of ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate?
The InChIKey is CVKMCBJSEPICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-12(16)13(14)7-6-11(8-13)15(3)10(2)9-17-4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate?
ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79655725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).