3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid

C17H29NO3 — CID 120536477

IUPAC3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)N1CCCC(CCC(=O)O)C1)C1CCCC1
InChIInChI=1S/C17H29NO3/c1-17(2,14-7-3-4-8-14)16(21)18-11-5-6-13(12-18)9-10-15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyFXSRYECXYZYTDN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds5

About 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid

3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid (PubChem CID 120536477) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
PubChem CID120536477
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)N1CCCC(CCC(=O)O)C1)C1CCCC1
InChIInChI=1S/C17H29NO3/c1-17(2,14-7-3-4-8-14)16(21)18-11-5-6-13(12-18)9-10-15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyFXSRYECXYZYTDN-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
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3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
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3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
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3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
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1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
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3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
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CID 94547371

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid (CID 120536477) is 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)N1CCCC(CCC(=O)O)C1)C1CCCC1.
What is the InChIKey of 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid?
The InChIKey is FXSRYECXYZYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,14-7-3-4-8-14)16(21)18-11-5-6-13(12-18)9-10-15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid?
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid has a molecular weight of 295.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).