2-[1-(butylaminomethyl)cyclopentyl]acetic acid

C12H23NO2 — CID 23174791

IUPAC2-[1-(butylaminomethyl)cyclopentyl]acetic acid
SMILESCCCCNCC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-8-13-10-12(9-11(14)15)6-4-5-7-12/h13H,2-10H2,1H3,(H,14,15)
InChIKeyYRNJCXGOEOFSDQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds7

About 2-[1-(butylaminomethyl)cyclopentyl]acetic acid

2-[1-(butylaminomethyl)cyclopentyl]acetic acid (PubChem CID 23174791) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(butylaminomethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(butylaminomethyl)cyclopentyl]acetic acid
PubChem CID23174791
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(butylaminomethyl)cyclopentyl]acetic acid
SMILESCCCCNCC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-8-13-10-12(9-11(14)15)6-4-5-7-12/h13H,2-10H2,1H3,(H,14,15)
InChIKeyYRNJCXGOEOFSDQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[(5S)-1-(butylaminomethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 70185846
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075

Frequently Asked Questions

What is the IUPAC name of 2-[1-(butylaminomethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(butylaminomethyl)cyclopentyl]acetic acid (CID 23174791) is 2-[1-(butylaminomethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(butylaminomethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(butylaminomethyl)cyclopentyl]acetic acid is CCCCNCC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(butylaminomethyl)cyclopentyl]acetic acid?
The InChIKey is YRNJCXGOEOFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-8-13-10-12(9-11(14)15)6-4-5-7-12/h13H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-[1-(butylaminomethyl)cyclopentyl]acetic acid?
2-[1-(butylaminomethyl)cyclopentyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butylaminomethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 23174791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).