2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid

C14H19NO2 — CID 117110519

IUPAC2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCCCc1cccc2c1NC(C)C2CC(=O)O
InChIInChI=1S/C14H19NO2/c1-3-5-10-6-4-7-11-12(8-13(16)17)9(2)15-14(10)11/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyCNMLVUOBCMJKAL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid

2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid (PubChem CID 117110519) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid
PubChem CID117110519
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCCCc1cccc2c1NC(C)C2CC(=O)O
InChIInChI=1S/C14H19NO2/c1-3-5-10-6-4-7-11-12(8-13(16)17)9(2)15-14(10)11/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyCNMLVUOBCMJKAL-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propylphenyl)acetic acid
CID 46897017
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83912755
(2S,3S)-3-(carboxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 11666053
2-[(2R)-aziridin-2-yl]-6-propylphenol
CID 165358418
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048
7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622128
2-ethoxy-6-propylbenzoic acid
CID 142472864
2-butyl-6-cyclobutylaniline
CID 172550525
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
CID 123234796
2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid (CID 117110519) is 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid is CCCc1cccc2c1NC(C)C2CC(=O)O.
What is the InChIKey of 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The InChIKey is CNMLVUOBCMJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-10-6-4-7-11-12(8-13(16)17)9(2)15-14(10)11/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid has a molecular weight of 233.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 117110519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).