2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid

C19H24N2O2 — CID 57374985

IUPAC2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid
SMILESCCC(C(=O)O)C1=CCCN(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H24N2O2/c1-2-16(19(22)23)15-6-5-10-21(13-15)11-9-14-12-20-18-8-4-3-7-17(14)18/h3-4,6-8,12,16,20H,2,5,9-11,13H2,1H3,(H,22,23)
InChIKeyIZNNBGRCPFYTFH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid

2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid (PubChem CID 57374985) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid.

Molecular Properties

Compound Name2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid
PubChem CID57374985
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid
SMILESCCC(C(=O)O)C1=CCCN(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H24N2O2/c1-2-16(19(22)23)15-6-5-10-21(13-15)11-9-14-12-20-18-8-4-3-7-17(14)18/h3-4,6-8,12,16,20H,2,5,9-11,13H2,1H3,(H,22,23)
InChIKeyIZNNBGRCPFYTFH-UHFFFAOYSA-N
XLogP3.45
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide
CID 76851298
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
(2S)-2-amino-4-(1H-indol-3-yl)butanoic acid;hydrate
CID 140978088
2-ethyl-4-(1H-indol-3-yl)-3-oxobutanoic acid
CID 160676695
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
2-bromobutanoic acid;2-(1H-indol-3-yl)ethanamine
CID 175464144
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
CID 51093208
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid?
The IUPAC name of 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid (CID 57374985) is 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid.
What is the SMILES notation for 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid?
The canonical SMILES for 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid is CCC(C(=O)O)C1=CCCN(CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid?
The InChIKey is IZNNBGRCPFYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-16(19(22)23)15-6-5-10-21(13-15)11-9-14-12-20-18-8-4-3-7-17(14)18/h3-4,6-8,12,16,20H,2,5,9-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid?
2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid has a molecular weight of 312.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]butanoic acid is sourced from PubChem (CID 57374985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).