3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid

C19H26N2O4 — CID 124682286

IUPAC3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
SMILESCC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(22)20-17(15-7-3-2-4-8-15)13-18(23)21-12-6-5-9-16(21)10-11-19(24)25/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,20,22)(H,24,25)/t16-,17-/m1/s1
InChIKeyDMKUWTNXTQDEEO-IAGOWNOFSA-N
MW346.43 g/mol
LogP2.50
Rot. Bonds7

About 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid (PubChem CID 124682286) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
PubChem CID124682286
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
SMILESCC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(22)20-17(15-7-3-2-4-8-15)13-18(23)21-12-6-5-9-16(21)10-11-19(24)25/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,20,22)(H,24,25)/t16-,17-/m1/s1
InChIKeyDMKUWTNXTQDEEO-IAGOWNOFSA-N
XLogP2.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
3-[(2R)-1-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]piperidin-2-yl]propanoic acid
CID 124701197
N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
CID 51338064
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119648763
N-[(1R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxo-1-phenylpropyl]acetamide
CID 11938692
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 49048926
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid (CID 124682286) is 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid is CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is DMKUWTNXTQDEEO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(22)20-17(15-7-3-2-4-8-15)13-18(23)21-12-6-5-9-16(21)10-11-19(24)25/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,20,22)(H,24,25)/t16-,17-/m1/s1.
What are the key properties of 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124682286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).