3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

C15H20ClNO2 — CID 117201259

IUPAC3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cc(Cl)ccc2N1C(C)C)C(=O)O
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-13(6-10(3)15(18)19)8-11-7-12(16)4-5-14(11)17/h4-5,7,9-10,13H,6,8H2,1-3H3,(H,18,19)
InChIKeyUTDGAGUBEWKXIO-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.59
Rot. Bonds4

About 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (PubChem CID 117201259) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
PubChem CID117201259
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cc(Cl)ccc2N1C(C)C)C(=O)O
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-13(6-10(3)15(18)19)8-11-7-12(16)4-5-14(11)17/h4-5,7,9-10,13H,6,8H2,1-3H3,(H,18,19)
InChIKeyUTDGAGUBEWKXIO-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic 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

(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202310
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
N-methyl-1-(5-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117200838
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304
6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 86033646
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (CID 117201259) is 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is CC(CC1Cc2cc(Cl)ccc2N1C(C)C)C(=O)O.
What is the InChIKey of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The InChIKey is UTDGAGUBEWKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)17-13(6-10(3)15(18)19)8-11-7-12(16)4-5-14(11)17/h4-5,7,9-10,13H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid has a molecular weight of 281.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117201259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).