3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid

C19H24N2O4 — CID 124681571

IUPAC3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C19H24N2O4/c1-13(22)21-16-8-3-2-6-14(16)12-17(21)19(25)20-11-5-4-7-15(20)9-10-18(23)24/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3,(H,23,24)/t15-,17+/m1/s1
InChIKeyYXOCSPNJHSCNON-WBVHZDCISA-N
MW344.41 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 124681571) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID124681571
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C19H24N2O4/c1-13(22)21-16-8-3-2-6-14(16)12-17(21)19(25)20-11-5-4-7-15(20)9-10-18(23)24/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3,(H,23,24)/t15-,17+/m1/s1
InChIKeyYXOCSPNJHSCNON-WBVHZDCISA-N
XLogP2.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid with MolForge

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Related Compounds

1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 136580393
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
3-[(2R)-1-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124701205
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 61409734
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883
3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 124701269
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-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid (CID 124681571) is 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCC[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is YXOCSPNJHSCNON-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(22)21-16-8-3-2-6-14(16)12-17(21)19(25)20-11-5-4-7-15(20)9-10-18(23)24/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3,(H,23,24)/t15-,17+/m1/s1.
What are the key properties of 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124681571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).