4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid

C15H20N2O5 — CID 2955982

IUPAC4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)CC(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O5/c1-21-12-4-2-11(3-5-12)16-14(18)10-13(15(19)20)17-6-8-22-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyBFDOTLBPLISOSB-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.81
Rot. Bonds6

About 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid

4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 2955982) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
PubChem CID2955982
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)CC(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O5/c1-21-12-4-2-11(3-5-12)16-14(18)10-13(15(19)20)17-6-8-22-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyBFDOTLBPLISOSB-UHFFFAOYSA-N
XLogP0.81
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(3R)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
CID 9453382
(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
CID 9453380
(2R)-4-(4-methoxyanilino)-4-oxo-2-(pyrrolidin-1-ylmethyl)butanoic acid
CID 95389057
(2S)-4-(4-anilinoanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591412
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid (CID 2955982) is 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid is COc1ccc(NC(=O)CC(C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is BFDOTLBPLISOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-21-12-4-2-11(3-5-12)16-14(18)10-13(15(19)20)17-6-8-22-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 2955982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).