3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid

C16H27NO4 — CID 124699624

IUPAC3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)COC1CCCCC1
InChIInChI=1S/C16H27NO4/c18-15(12-21-14-7-2-1-3-8-14)17-11-5-4-6-13(17)9-10-16(19)20/h13-14H,1-12H2,(H,19,20)/t13-/m0/s1
InChIKeyYHNOGNAOAPICIR-ZDUSSCGKSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds6

About 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid

3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid (PubChem CID 124699624) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
PubChem CID124699624
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)COC1CCCCC1
InChIInChI=1S/C16H27NO4/c18-15(12-21-14-7-2-1-3-8-14)17-11-5-4-6-13(17)9-10-16(19)20/h13-14H,1-12H2,(H,19,20)/t13-/m0/s1
InChIKeyYHNOGNAOAPICIR-ZDUSSCGKSA-N
XLogP2.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
CID 62216026
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
CID 63876352
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
2-piperidin-4-yloxy-1-(2-propylpiperidin-1-yl)ethanone
CID 83052721
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
3-[(2S)-1-[2-(thian-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124596541

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid (CID 124699624) is 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid is O=C(O)CC[C@@H]1CCCCN1C(=O)COC1CCCCC1.
What is the InChIKey of 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid?
The InChIKey is YHNOGNAOAPICIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27NO4/c18-15(12-21-14-7-2-1-3-8-14)17-11-5-4-6-13(17)9-10-16(19)20/h13-14H,1-12H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid?
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).