3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid

C15H17NO3S — CID 26682279

IUPAC3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCCC(=O)O
InChIInChI=1S/C15H17NO3S/c1-9-14(11-5-3-4-6-12(11)16-9)15(19)10(2)20-8-7-13(17)18/h3-6,10,16H,7-8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyYUPXOSRFMAZOHU-SNVBAGLBSA-N
MW291.37 g/mol
LogP3.26
Rot. Bonds6

About 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid

3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid (PubChem CID 26682279) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
PubChem CID26682279
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCCC(=O)O
InChIInChI=1S/C15H17NO3S/c1-9-14(11-5-3-4-6-12(11)16-9)15(19)10(2)20-8-7-13(17)18/h3-6,10,16H,7-8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyYUPXOSRFMAZOHU-SNVBAGLBSA-N
XLogP3.26
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic 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

3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 82254393
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7600434
2-[2-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 17434552
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7625622
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8633540
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The IUPAC name of 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid (CID 26682279) is 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The canonical SMILES for 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCCC(=O)O.
What is the InChIKey of 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The InChIKey is YUPXOSRFMAZOHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-9-14(11-5-3-4-6-12(11)16-9)15(19)10(2)20-8-7-13(17)18/h3-6,10,16H,7-8H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid?
3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 26682279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).