(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide

C15H21N3O — CID 129060338

IUPAC(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide
SMILESCC1(NC(=O)[C@H](N)Cc2c[nH]c3c2=CCCC=3)CC1
InChIInChI=1S/C15H21N3O/c1-15(6-7-15)18-14(19)12(16)8-10-9-17-13-5-3-2-4-11(10)13/h4-5,9,12,17H,2-3,6-8,16H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyXPGDJLGZZQWXFZ-GFCCVEGCSA-N
MW259.35 g/mol
LogP-0.09
Rot. Bonds4

About (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide

(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide (PubChem CID 129060338) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide
PubChem CID129060338
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide
SMILESCC1(NC(=O)[C@H](N)Cc2c[nH]c3c2=CCCC=3)CC1
InChIInChI=1S/C15H21N3O/c1-15(6-7-15)18-14(19)12(16)8-10-9-17-13-5-3-2-4-11(10)13/h4-5,9,12,17H,2-3,6-8,16H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyXPGDJLGZZQWXFZ-GFCCVEGCSA-N
XLogP-0.09
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide 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 (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide (CID 129060338) is (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide is CC1(NC(=O)[C@H](N)Cc2c[nH]c3c2=CCCC=3)CC1.
What is the InChIKey of (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide?
The InChIKey is XPGDJLGZZQWXFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(6-7-15)18-14(19)12(16)8-10-9-17-13-5-3-2-4-11(10)13/h4-5,9,12,17H,2-3,6-8,16H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide?
(2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5,6-dihydro-1H-indol-3-yl)-N-(1-methylcyclopropyl)propanamide is sourced from PubChem (CID 129060338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).