(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid

C17H24N2O4 — CID 683168

IUPAC(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESCc1ccc(C(=O)C[C@@H](NCCN2CCOCC2)C(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-13-2-4-14(5-3-13)16(20)12-15(17(21)22)18-6-7-19-8-10-23-11-9-19/h2-5,15,18H,6-12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMOJLWWYEJCKKMF-OAHLLOKOSA-N
MW320.39 g/mol
LogP0.94
Rot. Bonds8

About (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid

(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid (PubChem CID 683168) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
PubChem CID683168
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESCc1ccc(C(=O)C[C@@H](NCCN2CCOCC2)C(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-13-2-4-14(5-3-13)16(20)12-15(17(21)22)18-6-7-19-8-10-23-11-9-19/h2-5,15,18H,6-12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMOJLWWYEJCKKMF-OAHLLOKOSA-N
XLogP0.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-4-(4-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 683158
(2R)-4-(3-methylanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 1277380
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-(3-chloro-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 3236231
(2R)-2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(2,4,6-trimethylanilino)butanoic acid
CID 7422237
2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutanoic acid
CID 57349289
2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 18580971
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
(2S)-4-(4-hydroxyanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 7422020
(2R)-2-(2-morpholin-4-ylethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
CID 7166204
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
CID 82322156
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid (CID 683168) is (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid is Cc1ccc(C(=O)C[C@@H](NCCN2CCOCC2)C(=O)O)cc1.
What is the InChIKey of (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The InChIKey is MOJLWWYEJCKKMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13-2-4-14(5-3-13)16(20)12-15(17(21)22)18-6-7-19-8-10-23-11-9-19/h2-5,15,18H,6-12H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 683168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).