methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate

C11H22N2O2 — CID 79650274

IUPACmethyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-7-13(2)9-5-6-11(12,8-9)10(14)15-3/h9H,4-8,12H2,1-3H3
InChIKeyOQFDIGUYEUBEQQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate

methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate (PubChem CID 79650274) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
PubChem CID79650274
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-7-13(2)9-5-6-11(12,8-9)10(14)15-3/h9H,4-8,12H2,1-3H3
InChIKeyOQFDIGUYEUBEQQ-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
CID 105416924
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
CID 79627504
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate (CID 79650274) is methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate is CCCN(C)C1CCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The InChIKey is OQFDIGUYEUBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-13(2)9-5-6-11(12,8-9)10(14)15-3/h9H,4-8,12H2,1-3H3.
What are the key properties of methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79650274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).