methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate

C12H24N2O2 — CID 63382843

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

About methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate

methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate (PubChem CID 63382843) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
PubChem CID63382843
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCC1CN
InChIInChI=1S/C12H24N2O2/c1-14(8-4-7-12(15)16-2)11-6-3-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyFOMHMCGRWRCLRP-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 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate (CID 63382843) is methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate is COC(=O)CCCN(C)C1CCCC1CN.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate?
The InChIKey is FOMHMCGRWRCLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(8-4-7-12(15)16-2)11-6-3-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate?
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate 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 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate is sourced from PubChem (CID 63382843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).