3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid

C15H21NO3S — CID 124689811

IUPAC3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
SMILESC[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1cccs1
InChIInChI=1S/C15H21NO3S/c1-11(13-5-3-9-20-13)15(19)16-8-2-4-12(10-16)6-7-14(17)18/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyPSELSDFUBXEIAW-NWDGAFQWSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds5

About 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid (PubChem CID 124689811) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
PubChem CID124689811
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
SMILESC[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1cccs1
InChIInChI=1S/C15H21NO3S/c1-11(13-5-3-9-20-13)15(19)16-8-2-4-12(10-16)6-7-14(17)18/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyPSELSDFUBXEIAW-NWDGAFQWSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid with MolForge

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Related Compounds

(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
3-[(3R)-1-[(2R)-2-(4-chlorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415000
3-[(3R)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 124695893
3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
3-[(3S)-1-[(2S)-3-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-3-yl]propanoic acid
CID 124686743
3-[(3R)-1-[(3S)-3-(2-bromophenyl)butanoyl]piperidin-3-yl]propanoic acid
CID 97338913
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid (CID 124689811) is 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid is C[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1cccs1.
What is the InChIKey of 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid?
The InChIKey is PSELSDFUBXEIAW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(13-5-3-9-20-13)15(19)16-8-2-4-12(10-16)6-7-14(17)18/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid has a molecular weight of 295.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124689811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).