1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid

C17H20N2O3 — CID 124544362

IUPAC1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
SMILESCOCCn1c(C(=O)O)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O3/c1-11(2)19-13-7-5-4-6-12(13)16-14(19)10-15(17(20)21)18(16)8-9-22-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyCYBFIMRWDDQJSH-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid

1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid (PubChem CID 124544362) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
PubChem CID124544362
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
SMILESCOCCn1c(C(=O)O)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O3/c1-11(2)19-13-7-5-4-6-12(13)16-14(19)10-15(17(20)21)18(16)8-9-22-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyCYBFIMRWDDQJSH-UHFFFAOYSA-N
XLogP3.52
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
CID 97361353
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361339
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441936
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid (CID 124544362) is 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid is COCCn1c(C(=O)O)cc2c1c1ccccc1n2C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid?
The InChIKey is CYBFIMRWDDQJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)19-13-7-5-4-6-12(13)16-14(19)10-15(17(20)21)18(16)8-9-22-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid?
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 124544362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).