4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid

C14H20N2O2 — CID 82256904

IUPAC4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCc1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O2/c17-14(18)2-1-7-15-8-5-11-3-4-13-12(10-11)6-9-16-13/h3-4,10,15-16H,1-2,5-9H2,(H,17,18)
InChIKeySZXFPLOTFSMIPX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds7

About 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid

4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid (PubChem CID 82256904) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
PubChem CID82256904
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
SMILESO=C(O)CCCNCCc1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O2/c17-14(18)2-1-7-15-8-5-11-3-4-13-12(10-11)6-9-16-13/h3-4,10,15-16H,1-2,5-9H2,(H,17,18)
InChIKeySZXFPLOTFSMIPX-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
4-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]butanoic acid
CID 82257813
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propanoic acid
CID 135392633
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid (CID 82256904) is 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid is O=C(O)CCCNCCc1ccc2c(c1)CCN2.
What is the InChIKey of 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid?
The InChIKey is SZXFPLOTFSMIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)2-1-7-15-8-5-11-3-4-13-12(10-11)6-9-16-13/h3-4,10,15-16H,1-2,5-9H2,(H,17,18).
What are the key properties of 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid?
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid is sourced from PubChem (CID 82256904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).