3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid

C24H31F2N3O4 — CID 146422202

IUPAC3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc([C@@H](CC)N2CCOCC2)c(Nc2ccc(OC(F)F)cn2)c1
InChIInChI=1S/C24H31F2N3O4/c1-3-16(14-23(30)31)17-5-7-19(21(4-2)29-9-11-32-12-10-29)20(13-17)28-22-8-6-18(15-27-22)33-24(25)26/h5-8,13,15-16,21,24H,3-4,9-12,14H2,1-2H3,(H,27,28)(H,30,31)/t16?,21-/m1/s1
InChIKeyWNHRJAKQTFOGNL-CAWMZFRYSA-N
MW463.53 g/mol
LogP5.18
Rot. Bonds11

About 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid

3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid (PubChem CID 146422202) has the molecular formula C24H31F2N3O4 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid.

Molecular Properties

Compound Name3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid
PubChem CID146422202
Molecular FormulaC24H31F2N3O4
Molecular Weight463.53 g/mol
Exact Mass463.23
IUPAC Name3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc([C@@H](CC)N2CCOCC2)c(Nc2ccc(OC(F)F)cn2)c1
InChIInChI=1S/C24H31F2N3O4/c1-3-16(14-23(30)31)17-5-7-19(21(4-2)29-9-11-32-12-10-29)20(13-17)28-22-8-6-18(15-27-22)33-24(25)26/h5-8,13,15-16,21,24H,3-4,9-12,14H2,1-2H3,(H,27,28)(H,30,31)/t16?,21-/m1/s1
InChIKeyWNHRJAKQTFOGNL-CAWMZFRYSA-N
XLogP5.18
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[6-(methoxymethyl)-3-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid
CID 146422160
3-[3-(4-fluoroanilino)-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]-4-methoxybutanoic acid
CID 146422342
4-methoxy-3-[3-[[6-(methoxymethyl)-3-pyridinyl]amino]-4-[(1S)-1-morpholin-4-ylpropyl]phenyl]butanoic acid
CID 146422457
3-[3-(4-cyanoanilino)-4-[(1S)-1-morpholin-4-ylpropyl]phenyl]-4-methoxybutanoic acid
CID 146422383
(3S)-3-[3-amino-4-[(1S)-1-morpholin-4-ylpropyl]phenyl]-4-methoxybutanoic acid
CID 146430884
(3R)-3-[3-[(2-ethoxypyrimidin-5-yl)amino]-4-[(1R)-1-(oxan-4-yl)propyl]phenyl]pentanoic acid
CID 146422379
3-[3-[(2-ethoxypyrimidin-5-yl)amino]-4-[(1S)-1-(oxan-4-yl)propyl]phenyl]pentanoic acid
CID 146422315
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(3S)-3-[4-[(1S)-1-ethoxy-2,2,2-trifluoroethyl]-3-[(5-methoxypyrazin-2-yl)amino]phenyl]pentanoic acid
CID 146422294
(3S)-3-[3-[(2-methylpyrimidin-5-yl)amino]-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]phenyl]pentanoic acid
CID 146422230
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid?
The IUPAC name of 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid (CID 146422202) is 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid.
What is the SMILES notation for 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid?
The canonical SMILES for 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid is CCC(CC(=O)O)c1ccc([C@@H](CC)N2CCOCC2)c(Nc2ccc(OC(F)F)cn2)c1.
What is the InChIKey of 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid?
The InChIKey is WNHRJAKQTFOGNL-CAWMZFRYSA-N. The full InChI is InChI=1S/C24H31F2N3O4/c1-3-16(14-23(30)31)17-5-7-19(21(4-2)29-9-11-32-12-10-29)20(13-17)28-22-8-6-18(15-27-22)33-24(25)26/h5-8,13,15-16,21,24H,3-4,9-12,14H2,1-2H3,(H,27,28)(H,30,31)/t16?,21-/m1/s1.
What are the key properties of 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid?
3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid has a molecular weight of 463.53 g/mol, XLogP of 5.18, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4-[(1R)-1-morpholin-4-ylpropyl]phenyl]pentanoic acid is sourced from PubChem (CID 146422202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).