2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

C16H23NO2 — CID 117199630

IUPAC2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19)
InChIKeyHQLCBXIGLPWQCZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds4

About 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 117199630) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID117199630
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19)
InChIKeyHQLCBXIGLPWQCZ-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328540
1,2,3,3a,4,5-Hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
CID 4968024
2-[(2S,4S)-4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218607
2-[(2R,3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218640
2,3-dihydro-1-methyl-2-thioxo-1H-indole-3-acetic acid
CID 5328536
methyl 3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoate
CID 5328542
4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328544
methyl 4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoate
CID 5328546
1-(4-Carboxy-2-methylpentanoyl)-2,3-dihydro-1h-indole-2-carboxylic acid
CID 134126
1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13105674
1-(4-Carboxy-2-methyl-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13105676
1-[2-(2-Carboxy-ethyl)-3-methyl-butyryl]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13364520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (CID 117199630) is 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is Cc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C.
What is the InChIKey of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is HQLCBXIGLPWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 117199630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).