methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate

C12H24N2O2 — CID 83107449

IUPACmethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
SMILESCOC(=O)C(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(11(15)16-4)13-9-12(14(2)3)7-5-6-8-12/h10,13H,5-9H2,1-4H3
InChIKeyYOHXUAICUFIQGG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate

methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate (PubChem CID 83107449) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
PubChem CID83107449
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
SMILESCOC(=O)C(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(11(15)16-4)13-9-12(14(2)3)7-5-6-8-12/h10,13H,5-9H2,1-4H3
InChIKeyYOHXUAICUFIQGG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83121065
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
CID 83121061
N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 105416383
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330
3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
CID 83120864
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 83121707
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
2-amino-3-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 103268958
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The IUPAC name of methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate (CID 83107449) is methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate is COC(=O)C(C)NCC1(N(C)C)CCCC1.
What is the InChIKey of methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The InChIKey is YOHXUAICUFIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(11(15)16-4)13-9-12(14(2)3)7-5-6-8-12/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate is sourced from PubChem (CID 83107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).