3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid

C14H20N2O2 — CID 63235661

IUPAC3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(8-14(17)18)16-9-11(6-7-15)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,15H2,1H3,(H,17,18)
InChIKeyJXCHBTWWGDHIKO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds5

About 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid

3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid (PubChem CID 63235661) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
PubChem CID63235661
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(8-14(17)18)16-9-11(6-7-15)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,15H2,1H3,(H,17,18)
InChIKeyJXCHBTWWGDHIKO-UHFFFAOYSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide
CID 63235930
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 63235664
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63235746
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 63235622
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
CID 63235879
2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
CID 63235698
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methylpropyl)acetamide
CID 63236015
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 63235966
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557268

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid?
The IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid (CID 63235661) is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid.
What is the SMILES notation for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid?
The canonical SMILES for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid is CC(CC(=O)O)N1CC(CCN)c2ccccc21.
What is the InChIKey of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid?
The InChIKey is JXCHBTWWGDHIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(8-14(17)18)16-9-11(6-7-15)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,15H2,1H3,(H,17,18).
What are the key properties of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid?
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid is sourced from PubChem (CID 63235661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).