3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid

C17H22N2O3 — CID 134481262

IUPAC3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c2c(N3CCOCC3)cccc2n1C
InChIInChI=1S/C17H22N2O3/c1-12-13(6-7-16(20)21)17-14(18(12)2)4-3-5-15(17)19-8-10-22-11-9-19/h3-5H,6-11H2,1-2H3,(H,20,21)
InChIKeyWFCWXFNFJHVAII-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.34
Rot. Bonds4

About 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid

3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid (PubChem CID 134481262) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid
PubChem CID134481262
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c2c(N3CCOCC3)cccc2n1C
InChIInChI=1S/C17H22N2O3/c1-12-13(6-7-16(20)21)17-14(18(12)2)4-3-5-15(17)19-8-10-22-11-9-19/h3-5H,6-11H2,1-2H3,(H,20,21)
InChIKeyWFCWXFNFJHVAII-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid
CID 138576954
2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
CID 82240026
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
CID 139519298
3-(2-bromo-6-pyrrolidin-1-ylphenyl)propanoic acid
CID 117114900
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid
CID 83898838
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
3-[1-(benzenesulfonyl)-3-methyl-4-morpholin-4-ylindol-2-yl]-3-oxopropanenitrile
CID 140934724

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The IUPAC name of 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid (CID 134481262) is 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The canonical SMILES for 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid is Cc1c(CCC(=O)O)c2c(N3CCOCC3)cccc2n1C.
What is the InChIKey of 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The InChIKey is WFCWXFNFJHVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-13(6-7-16(20)21)17-14(18(12)2)4-3-5-15(17)19-8-10-22-11-9-19/h3-5H,6-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid is sourced from PubChem (CID 134481262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).