2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid

C15H19NO2 — CID 162420259

IUPAC2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid
SMILESC=C(C)CN1C[C@](C)(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-11(2)9-16-10-15(3,8-14(17)18)12-6-4-5-7-13(12)16/h4-7H,1,8-10H2,2-3H3,(H,17,18)/t15-/m0/s1
InChIKeyFWGMMSFLCOKTQP-HNNXBMFYSA-N
MW245.32 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid

2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid (PubChem CID 162420259) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid
PubChem CID162420259
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid
SMILESC=C(C)CN1C[C@](C)(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-11(2)9-16-10-15(3,8-14(17)18)12-6-4-5-7-13(12)16/h4-7H,1,8-10H2,2-3H3,(H,17,18)/t15-/m0/s1
InChIKeyFWGMMSFLCOKTQP-HNNXBMFYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid (CID 162420259) is 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid is C=C(C)CN1C[C@](C)(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid?
The InChIKey is FWGMMSFLCOKTQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)9-16-10-15(3,8-14(17)18)12-6-4-5-7-13(12)16/h4-7H,1,8-10H2,2-3H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid?
2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-1-(2-methylprop-2-enyl)-2H-indol-3-yl]acetic acid is sourced from PubChem (CID 162420259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).