4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid

C16H20Cl2N2O4 — CID 119352757

IUPAC4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O4/c17-11-3-4-12(13(18)10-11)15(20-6-8-24-9-7-20)16(23)19-5-1-2-14(21)22/h3-4,10,15H,1-2,5-9H2,(H,19,23)(H,21,22)
InChIKeyJKPMLNKETXCGGK-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.35
Rot. Bonds7

About 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid

4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid (PubChem CID 119352757) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
PubChem CID119352757
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Name4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O4/c17-11-3-4-12(13(18)10-11)15(20-6-8-24-9-7-20)16(23)19-5-1-2-14(21)22/h3-4,10,15H,1-2,5-9H2,(H,19,23)(H,21,22)
InChIKeyJKPMLNKETXCGGK-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
(2S)-2-(2,4-dichlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]-2-morpholin-4-ylacetamide
CID 100899496
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 75373916
(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
CID 95781081
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
CID 97009143
2-(2,4-dichlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-morpholin-4-ylacetamide
CID 139005024
2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
CID 166231646
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide
CID 138995622
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide
CID 3901190
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid (CID 119352757) is 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid is O=C(O)CCCNC(=O)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid?
The InChIKey is JKPMLNKETXCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c17-11-3-4-12(13(18)10-11)15(20-6-8-24-9-7-20)16(23)19-5-1-2-14(21)22/h3-4,10,15H,1-2,5-9H2,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid?
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid has a molecular weight of 375.25 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid is sourced from PubChem (CID 119352757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).