3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

C15H21NO3 — CID 117200542

IUPAC3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(CC1CN(C(C)C)c2cccc(O)c21)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)16-8-11(7-10(3)15(18)19)14-12(16)5-4-6-13(14)17/h4-6,9-11,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyUWYAJRDNXWRQQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds4

About 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid

3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (PubChem CID 117200542) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
PubChem CID117200542
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
SMILESCC(CC1CN(C(C)C)c2cccc(O)c21)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)16-8-11(7-10(3)15(18)19)14-12(16)5-4-6-13(14)17/h4-6,9-11,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyUWYAJRDNXWRQQL-UHFFFAOYSA-N
XLogP2.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
CID 117199630
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202310
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200526
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
2-methyl-3-(4-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 117199572
1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol
CID 161493495

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid (CID 117200542) is 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is CC(CC1CN(C(C)C)c2cccc(O)c21)C(=O)O.
What is the InChIKey of 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
The InChIKey is UWYAJRDNXWRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)16-8-11(7-10(3)15(18)19)14-12(16)5-4-6-13(14)17/h4-6,9-11,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid?
3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117200542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).