3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid

C15H23N3O3 — CID 82330460

IUPAC3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O3/c19-15(20)3-6-18(13-14-1-4-16-5-2-14)8-7-17-9-11-21-12-10-17/h1-2,4-5H,3,6-13H2,(H,19,20)
InChIKeyKWQLRJXFIBXEHQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.69
Rot. Bonds8

About 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid

3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid (PubChem CID 82330460) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
PubChem CID82330460
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O3/c19-15(20)3-6-18(13-14-1-4-16-5-2-14)8-7-17-9-11-21-12-10-17/h1-2,4-5H,3,6-13H2,(H,19,20)
InChIKeyKWQLRJXFIBXEHQ-UHFFFAOYSA-N
XLogP0.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329915
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113163762
3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 4188209
2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43817948
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 56564244
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113160629

Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid (CID 82330460) is 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid is O=C(O)CCN(CCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid?
The InChIKey is KWQLRJXFIBXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-15(20)3-6-18(13-14-1-4-16-5-2-14)8-7-17-9-11-21-12-10-17/h1-2,4-5H,3,6-13H2,(H,19,20).
What are the key properties of 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid?
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82330460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).