methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate

C16H31N3O2 — CID 79572326

IUPACmethyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)CCN1CCCC1
InChIInChI=1S/C16H31N3O2/c1-18(12-13-19-9-3-4-10-19)11-7-14-6-5-8-16(14,17)15(20)21-2/h14H,3-13,17H2,1-2H3
InChIKeyZOMWHRYYOQBSBD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.07
Rot. Bonds7

About methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 79572326) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID79572326
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)CCN1CCCC1
InChIInChI=1S/C16H31N3O2/c1-18(12-13-19-9-3-4-10-19)11-7-14-6-5-8-16(14,17)15(20)21-2/h14H,3-13,17H2,1-2H3
InChIKeyZOMWHRYYOQBSBD-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
methyl 1-amino-2-[2-[3-(dimethylamino)piperidin-1-yl]ethyl]cyclopentane-1-carboxylate
CID 79572370
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565663
methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79563707
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538
1-amino-2-[2-[3-(dimethylamino)propyl-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79564237
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571290
methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79563943
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate (CID 79572326) is methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCN(C)CCN1CCCC1.
What is the InChIKey of methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is ZOMWHRYYOQBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(12-13-19-9-3-4-10-19)11-7-14-6-5-8-16(14,17)15(20)21-2/h14H,3-13,17H2,1-2H3.
What are the key properties of methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79572326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).