3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid

C15H28N2O3 — CID 64599022

IUPAC3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESCC(C)C(C)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)12(3)10-16-15(20)17-8-6-13(7-9-17)4-5-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDOMGZAGVZPTGCY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds6

About 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 64599022) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID64599022
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESCC(C)C(C)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)12(3)10-16-15(20)17-8-6-13(7-9-17)4-5-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDOMGZAGVZPTGCY-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid (CID 64599022) is 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid is CC(C)C(C)CNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is DOMGZAGVZPTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)12(3)10-16-15(20)17-8-6-13(7-9-17)4-5-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylbutylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 64599022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).