3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid

C17H22N2O3 — CID 117175764

IUPAC3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)n1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H22N2O3/c1-12(2)19-11-14(10-18-5-7-22-8-6-18)15-9-13(17(20)21)3-4-16(15)19/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyJXDKPBSSULSERO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.75
Rot. Bonds4

About 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid

3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid (PubChem CID 117175764) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
PubChem CID117175764
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)n1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H22N2O3/c1-12(2)19-11-14(10-18-5-7-22-8-6-18)15-9-13(17(20)21)3-4-16(15)19/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyJXDKPBSSULSERO-UHFFFAOYSA-N
XLogP2.75
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
3-(hydroxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175803
3-(piperazin-1-ylmethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 117179158
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773
3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
CID 117175748
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid (CID 117175764) is 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid is CC(C)n1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid?
The InChIKey is JXDKPBSSULSERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)19-11-14(10-18-5-7-22-8-6-18)15-9-13(17(20)21)3-4-16(15)19/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid?
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 117175764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).