3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid

C15H22N2O2 — CID 65062421

IUPAC3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O2/c1-3-17(9-7-15(18)19)11-12-4-5-14-13(10-12)6-8-16(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUGDDGSWLAMKZFY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.98
Rot. Bonds6

About 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid

3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid (PubChem CID 65062421) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
PubChem CID65062421
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O2/c1-3-17(9-7-15(18)19)11-12-4-5-14-13(10-12)6-8-16(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUGDDGSWLAMKZFY-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid (CID 65062421) is 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1ccc2c(c1)CCN2C.
What is the InChIKey of 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The InChIKey is UGDDGSWLAMKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(9-7-15(18)19)11-12-4-5-14-13(10-12)6-8-16(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 65062421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).