(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid

C13H16N2O2 — CID 71052009

IUPAC(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
SMILESCN[C@H](Cc1cn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-14-11(13(16)17)7-9-8-15(2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLLXSARQPJDZTPZ-LLVKDONJSA-N
MW232.28 g/mol
LogP1.39
Rot. Bonds4

About (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid

(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid (PubChem CID 71052009) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
PubChem CID71052009
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
SMILESCN[C@H](Cc1cn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-14-11(13(16)17)7-9-8-15(2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLLXSARQPJDZTPZ-LLVKDONJSA-N
XLogP1.39
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
CID 168915547
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
2,6-bis(methylamino)hexanoic acid;methane;2-(methylamino)-3-(1-methylimidazol-2-yl)propanoic acid;2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 159536362
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
2-(methylamino)-3-(1-methyl-5-methylsulfonylindol-3-yl)propanoic acid
CID 83985062
(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one
CID 135189876
(2S)-2-(methylamino)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 68812969
(2R)-2-(methylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 175887125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid (CID 71052009) is (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid is CN[C@H](Cc1cn(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid?
The InChIKey is LLXSARQPJDZTPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-11(13(16)17)7-9-8-15(2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid?
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid is sourced from PubChem (CID 71052009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).