3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid

C16H20N2O3 — CID 138576954

IUPAC3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid
SMILESCn1cc(CCC(=O)O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C16H20N2O3/c1-17-11-12(5-6-15(19)20)16-13(17)3-2-4-14(16)18-7-9-21-10-8-18/h2-4,11H,5-10H2,1H3,(H,19,20)
InChIKeySLUSVFXWJWCNIU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds4

About 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid

3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid (PubChem CID 138576954) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid
PubChem CID138576954
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid
SMILESCn1cc(CCC(=O)O)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C16H20N2O3/c1-17-11-12(5-6-15(19)20)16-13(17)3-2-4-14(16)18-7-9-21-10-8-18/h2-4,11H,5-10H2,1H3,(H,19,20)
InChIKeySLUSVFXWJWCNIU-UHFFFAOYSA-N
XLogP2.03
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-dimethyl-4-morpholin-4-ylindol-3-yl)propanoic acid
CID 134481262
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
4-(1-methylindol-3-yl)morpholine
CID 12530824
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propanoic acid
CID 82389702
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
4-[(4-fluoro-1-methylindol-3-yl)methyl]morpholine
CID 117171192
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The IUPAC name of 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid (CID 138576954) is 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The canonical SMILES for 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid is Cn1cc(CCC(=O)O)c2c(N3CCOCC3)cccc21.
What is the InChIKey of 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
The InChIKey is SLUSVFXWJWCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-11-12(5-6-15(19)20)16-13(17)3-2-4-14(16)18-7-9-21-10-8-18/h2-4,11H,5-10H2,1H3,(H,19,20).
What are the key properties of 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid?
3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid is sourced from PubChem (CID 138576954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).