2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid

C14H17NO2 — CID 79629461

IUPAC2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid
SMILESCc1ccc2ccn(CC(C)(C)C(=O)O)c2c1
InChIInChI=1S/C14H17NO2/c1-10-4-5-11-6-7-15(12(11)8-10)9-14(2,3)13(16)17/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyKPXKFJKTDJXRAN-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.06
Rot. Bonds3

About 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid

2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid (PubChem CID 79629461) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid
PubChem CID79629461
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid
SMILESCc1ccc2ccn(CC(C)(C)C(=O)O)c2c1
InChIInChI=1S/C14H17NO2/c1-10-4-5-11-6-7-15(12(11)8-10)9-14(2,3)13(16)17/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyKPXKFJKTDJXRAN-UHFFFAOYSA-N
XLogP3.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
3-(5-chloroindol-1-yl)-2,2-dimethylpropanoic acid
CID 79628987
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
2,2-dimethyl-6-(5-methylindol-1-yl)hexanoic acid
CID 106714189
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885355
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
1-bromo-3-(6-methylindol-1-yl)propan-2-ol
CID 130577128
1-(2-bromoethyl)-6-methylindole
CID 130577129
1-decyl-6-methylindole
CID 116546893

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid (CID 79629461) is 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid is Cc1ccc2ccn(CC(C)(C)C(=O)O)c2c1.
What is the InChIKey of 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid?
The InChIKey is KPXKFJKTDJXRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-4-5-11-6-7-15(12(11)8-10)9-14(2,3)13(16)17/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid?
2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid has a molecular weight of 231.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid is sourced from PubChem (CID 79629461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).