3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid

C11H22N2O2 — CID 63317939

IUPAC3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
SMILESCN(CCNCCC(=O)O)C1CCCC1
InChIInChI=1S/C11H22N2O2/c1-13(10-4-2-3-5-10)9-8-12-7-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyUGYLLFCWBSGUMS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds7

About 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid

3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid (PubChem CID 63317939) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
PubChem CID63317939
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
SMILESCN(CCNCCC(=O)O)C1CCCC1
InChIInChI=1S/C11H22N2O2/c1-13(10-4-2-3-5-10)9-8-12-7-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyUGYLLFCWBSGUMS-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588
3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
CID 63318608
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 82013028
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
N'-cyclopentyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 106547137
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid (CID 63317939) is 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid is CN(CCNCCC(=O)O)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid?
The InChIKey is UGYLLFCWBSGUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(10-4-2-3-5-10)9-8-12-7-6-11(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid?
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid is sourced from PubChem (CID 63317939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).