2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid

C15H20N2O2 — CID 65057866

IUPAC2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
SMILESCN1CCc2cc(CN(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-16-7-6-12-8-11(2-5-14(12)16)9-17(10-15(18)19)13-3-4-13/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,18,19)
InChIKeyZRROXXWIEBWQGS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds5

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

2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid (PubChem CID 65057866) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
PubChem CID65057866
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
SMILESCN1CCc2cc(CN(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-16-7-6-12-8-11(2-5-14(12)16)9-17(10-15(18)19)13-3-4-13/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,18,19)
InChIKeyZRROXXWIEBWQGS-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid (CID 65057866) is 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid is CN1CCc2cc(CN(CC(=O)O)C3CC3)ccc21.
What is the InChIKey of 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
The InChIKey is ZRROXXWIEBWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-7-6-12-8-11(2-5-14(12)16)9-17(10-15(18)19)13-3-4-13/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid has a molecular weight of 260.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 65057866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).