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

C13H25NO3 — CID 65062585

IUPAC3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCOCCC(C)N1CCCCC1CCC(=O)O
InChIInChI=1S/C13H25NO3/c1-11(8-10-17-2)14-9-4-3-5-12(14)6-7-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyJTSYQIFISVPXQD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

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

3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid (PubChem CID 65062585) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
PubChem CID65062585
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCOCCC(C)N1CCCCC1CCC(=O)O
InChIInChI=1S/C13H25NO3/c1-11(8-10-17-2)14-9-4-3-5-12(14)6-7-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyJTSYQIFISVPXQD-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
CID 65062430
2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol
CID 114339904
3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
CID 65062434
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
CID 64597618

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid (CID 65062585) is 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid is COCCC(C)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid?
The InChIKey is JTSYQIFISVPXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(8-10-17-2)14-9-4-3-5-12(14)6-7-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid?
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65062585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).