3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid

C14H25NO3 — CID 114240730

IUPAC3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
SMILESCC1COCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-11-10-18-9-6-13(11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXKNIQKISIYCDHF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds4

About 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid

3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 114240730) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
PubChem CID114240730
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
SMILESCC1COCCC1N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-11-10-18-9-6-13(11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyXKNIQKISIYCDHF-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid (CID 114240730) is 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid is CC1COCCC1N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is XKNIQKISIYCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-10-18-9-6-13(11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 114240730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).