methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate

C12H24N2O2 — CID 63382692

IUPACmethyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C1CCCC1CN
InChIInChI=1S/C12H24N2O2/c1-3-14(8-7-12(15)16-2)11-6-4-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyZDLZWBNEYDARII-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate

methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate (PubChem CID 63382692) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
PubChem CID63382692
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C1CCCC1CN
InChIInChI=1S/C12H24N2O2/c1-3-14(8-7-12(15)16-2)11-6-4-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyZDLZWBNEYDARII-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate (CID 63382692) is methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate is CCN(CCC(=O)OC)C1CCCC1CN.
What is the InChIKey of methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate?
The InChIKey is ZDLZWBNEYDARII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(8-7-12(15)16-2)11-6-4-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate?
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate is sourced from PubChem (CID 63382692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).