2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid

C16H30NO2+ — CID 153304620

IUPAC2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid
SMILESCC(C)C1CCC(C[NH+]2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)15-6-5-14(8-15)11-17-7-3-4-13(10-17)9-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)/p+1
InChIKeyADCHCVDTGSNGTN-UHFFFAOYSA-O
MW268.42 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid

2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid (PubChem CID 153304620) has the molecular formula C16H30NO2+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid
PubChem CID153304620
Molecular FormulaC16H30NO2+
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid
SMILESCC(C)C1CCC(C[NH+]2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)15-6-5-14(8-15)11-17-7-3-4-13(10-17)9-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)/p+1
InChIKeyADCHCVDTGSNGTN-UHFFFAOYSA-O
XLogP1.83
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-ylcyclopentyl)propan-2-one
CID 89323267
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
2-(5-propan-2-ylpiperidin-3-yl)acetic acid
CID 178113239
[(1R,3R)-3-propan-2-ylcyclopentyl]methanol
CID 59340916
4-hydroxy-1-[(1R,3S)-3-propan-2-ylcyclohexyl]pentan-2-one
CID 157279519
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 70337796
1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium
CID 163176647
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid (CID 153304620) is 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid is CC(C)C1CCC(C[NH+]2CCCC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid?
The InChIKey is ADCHCVDTGSNGTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H29NO2/c1-12(2)15-6-5-14(8-15)11-17-7-3-4-13(10-17)9-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)/p+1.
What are the key properties of 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid?
2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid has a molecular weight of 268.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid is sourced from PubChem (CID 153304620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).