3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid

C13H23NO2 — CID 65071823

IUPAC3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid
SMILESCC(C1CC1)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-10(12-5-6-12)14-8-2-3-11(9-14)4-7-13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyOPFYWZFTJUHFJH-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds5

About 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid

3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid (PubChem CID 65071823) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid
PubChem CID65071823
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid
SMILESCC(C1CC1)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-10(12-5-6-12)14-8-2-3-11(9-14)4-7-13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyOPFYWZFTJUHFJH-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
CID 65072281
3-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65071978
3-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-3-yl]propanoic acid
CID 104654096
3-[1-[1-(2,4-dimethylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072129
3-[1-(2,2,4-trimethylpentanoyl)piperidin-3-yl]propanoic acid
CID 120689656
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
3-[1-[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101313
3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid (CID 65071823) is 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid is CC(C1CC1)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid?
The InChIKey is OPFYWZFTJUHFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(12-5-6-12)14-8-2-3-11(9-14)4-7-13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid?
3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 65071823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).