2-(5-propan-2-ylpiperidin-3-yl)acetic acid

C10H19NO2 — CID 178113239

IUPAC2-(5-propan-2-ylpiperidin-3-yl)acetic acid
SMILESCC(C)C1CNCC(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)9-3-8(4-10(12)13)5-11-6-9/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySITKWHWLKGZOGA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-propan-2-ylpiperidin-3-yl)acetic acid

2-(5-propan-2-ylpiperidin-3-yl)acetic acid (PubChem CID 178113239) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(5-propan-2-ylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-propan-2-ylpiperidin-3-yl)acetic acid
PubChem CID178113239
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(5-propan-2-ylpiperidin-3-yl)acetic acid
SMILESCC(C)C1CNCC(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)9-3-8(4-10(12)13)5-11-6-9/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySITKWHWLKGZOGA-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine
CID 164801916
2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 10920964
2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
CID 121313483
2-[5-(3,5-dimethylphenyl)piperidin-3-yl]acetic acid
CID 175280614
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-methyl-N-(5-propan-2-ylpiperidin-3-yl)propanamide
CID 118034513
3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid
CID 97184538
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
CID 165455355
2-[6,9-bis(carboxymethyl)-1,6-diazecan-3-yl]acetic acid
CID 167250780
2-[1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium-3-yl]acetic acid
CID 153304620
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(5-propan-2-ylpiperidin-3-yl)acetic acid (CID 178113239) is 2-(5-propan-2-ylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-propan-2-ylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-propan-2-ylpiperidin-3-yl)acetic acid is CC(C)C1CNCC(CC(=O)O)C1.
What is the InChIKey of 2-(5-propan-2-ylpiperidin-3-yl)acetic acid?
The InChIKey is SITKWHWLKGZOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9-3-8(4-10(12)13)5-11-6-9/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-propan-2-ylpiperidin-3-yl)acetic acid?
2-(5-propan-2-ylpiperidin-3-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 178113239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).