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

C13H17NO2 — CID 117202967

IUPAC2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CC(C)N2C
InChIInChI=1S/C13H17NO2/c1-8-7-11-10(9(2)13(15)16)5-4-6-12(11)14(8)3/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyVICBWBDQIOZOPR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.26
Rot. Bonds2

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

2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid (PubChem CID 117202967) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid
PubChem CID117202967
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CC(C)N2C
InChIInChI=1S/C13H17NO2/c1-8-7-11-10(9(2)13(15)16)5-4-6-12(11)14(8)3/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyVICBWBDQIOZOPR-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid?
The IUPAC name of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid (CID 117202967) is 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid?
The canonical SMILES for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid is CC(C(=O)O)c1cccc2c1CC(C)N2C.
What is the InChIKey of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid?
The InChIKey is VICBWBDQIOZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-7-11-10(9(2)13(15)16)5-4-6-12(11)14(8)3/h4-6,8-9H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid?
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid is sourced from PubChem (CID 117202967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).