4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid

C17H25N3O4 — CID 124992467

IUPAC4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
SMILESCN(C)c1cc(CC[C@@H]2CN(C(=O)CCC(=O)O)CCO2)ccn1
InChIInChI=1S/C17H25N3O4/c1-19(2)15-11-13(7-8-18-15)3-4-14-12-20(9-10-24-14)16(21)5-6-17(22)23/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyPQTRRUMOELSBPK-CQSZACIVSA-N
MW335.40 g/mol
LogP1.17
Rot. Bonds7

About 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid

4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid (PubChem CID 124992467) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
PubChem CID124992467
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
SMILESCN(C)c1cc(CC[C@@H]2CN(C(=O)CCC(=O)O)CCO2)ccn1
InChIInChI=1S/C17H25N3O4/c1-19(2)15-11-13(7-8-18-15)3-4-14-12-20(9-10-24-14)16(21)5-6-17(22)23/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyPQTRRUMOELSBPK-CQSZACIVSA-N
XLogP1.17
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 110114059
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 124950403
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125000357
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid (CID 124992467) is 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid is CN(C)c1cc(CC[C@@H]2CN(C(=O)CCC(=O)O)CCO2)ccn1.
What is the InChIKey of 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid?
The InChIKey is PQTRRUMOELSBPK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-19(2)15-11-13(7-8-18-15)3-4-14-12-20(9-10-24-14)16(21)5-6-17(22)23/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid?
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid has a molecular weight of 335.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid is sourced from PubChem (CID 124992467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).