(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate

C14H16Cl2N2O4 — CID 7166406

IUPAC(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate
SMILESO=C(C[C@H](C(=O)[O-])[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyVSBFLSMLPGGPQJ-GFCCVEGCSA-N
MW347.20 g/mol
LogP-0.64
Rot. Bonds5

About (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate

(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate (PubChem CID 7166406) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate.

Molecular Properties

Compound Name(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate
PubChem CID7166406
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate
SMILESO=C(C[C@H](C(=O)[O-])[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyVSBFLSMLPGGPQJ-GFCCVEGCSA-N
XLogP-0.64
TPSA82.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate with MolForge

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Related Compounds

(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate
CID 7591846
(2S)-4-(2,3-dimethylanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate
CID 7157995
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
(2S)-4-(2,5-dichloroanilino)-4-oxo-2-(propylazaniumyl)butanoate
CID 7166408
(2S)-4-(3-chloro-2-methylanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
CID 7591694
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
4-(2,5-dichloroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 4860933
(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591839
(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591841
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9440403
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2082920

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate?
The IUPAC name of (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate (CID 7166406) is (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate.
What is the SMILES notation for (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate?
The canonical SMILES for (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate is O=C(C[C@H](C(=O)[O-])[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate?
The InChIKey is VSBFLSMLPGGPQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate?
(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate has a molecular weight of 347.20 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate is sourced from PubChem (CID 7166406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).