2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid

C13H24N2O2 — CID 103251458

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
SMILESCN(CCNC1CCC1C(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O2/c1-15(10-4-2-3-5-10)9-8-14-12-7-6-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyHFIFQFDYBXWUNU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid

2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103251458) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103251458
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
SMILESCN(CCNC1CCC1C(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O2/c1-15(10-4-2-3-5-10)9-8-14-12-7-6-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyHFIFQFDYBXWUNU-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid (CID 103251458) is 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid is CN(CCNC1CCC1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HFIFQFDYBXWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(10-4-2-3-5-10)9-8-14-12-7-6-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid?
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).