2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid

C14H17NO2 — CID 83860122

IUPAC2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
SMILESCc1c(CC(=O)O)n(C(C)C)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9(2)15-12-7-5-4-6-11(12)10(3)13(15)8-14(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyAXOMJWKBCBYJCH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid

2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid (PubChem CID 83860122) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
PubChem CID83860122
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
SMILESCc1c(CC(=O)O)n(C(C)C)c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9(2)15-12-7-5-4-6-11(12)10(3)13(15)8-14(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyAXOMJWKBCBYJCH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
CID 83860125
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]butanoic acid
CID 107236506
3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
CID 117494202
4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid
CID 107236470
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176548686
2-(carboxymethyl)-1-ethylindole-3-carboxylic acid
CID 13163081
2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
CID 175678995
3,5-dinitrobenzoic acid;9-propan-2-ylcarbazole
CID 139057652
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid (CID 83860122) is 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid is Cc1c(CC(=O)O)n(C(C)C)c2ccccc12.
What is the InChIKey of 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid?
The InChIKey is AXOMJWKBCBYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)15-12-7-5-4-6-11(12)10(3)13(15)8-14(16)17/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid?
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid has a molecular weight of 231.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid is sourced from PubChem (CID 83860122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).