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

C15H20ClNO2 — CID 117202310

IUPAC3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(CC1CN(C(C)C)c2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-8-11(6-10(3)15(18)19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,19)
InChIKeyLZXBKLONNAIHJZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.76
Rot. Bonds4

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

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (PubChem CID 117202310) 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-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
PubChem CID117202310
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(CC1CN(C(C)C)c2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C15H20ClNO2/c1-9(2)17-8-11(6-10(3)15(18)19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,19)
InChIKeyLZXBKLONNAIHJZ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202294
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200542
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 115006256
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117202632
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (CID 117202310) is 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is CC(CC1CN(C(C)C)c2ccc(Cl)cc21)C(=O)O.
What is the InChIKey of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The InChIKey is LZXBKLONNAIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)17-8-11(6-10(3)15(18)19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid has a molecular weight of 281.78 g/mol, XLogP of 3.76, 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-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117202310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).