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

C14H25NO4 — CID 103018528

IUPAC3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
SMILESCOC(C)(C)CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-14(2,19-3)10-12(16)15-8-6-11(7-9-15)4-5-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyFVDWRLPOYSIZLF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds6

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

3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid (PubChem CID 103018528) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
PubChem CID103018528
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
SMILESCOC(C)(C)CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-14(2,19-3)10-12(16)15-8-6-11(7-9-15)4-5-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyFVDWRLPOYSIZLF-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 103021618
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
3-[1-(4-methoxypentanoyl)pyrrolidin-3-yl]propanoic acid
CID 113382138
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid (CID 103018528) is 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid is COC(C)(C)CC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The InChIKey is FVDWRLPOYSIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,19-3)10-12(16)15-8-6-11(7-9-15)4-5-13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 103018528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).