[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

C20H22N2O5 — CID 7378633

IUPAC[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESC[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O5/c1-14(27-20(25)15-3-2-4-18(23)13-15)19(24)21-16-5-7-17(8-6-16)22-9-11-26-12-10-22/h2-8,13-14,23H,9-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyZSLAQZFEACOPMF-AWEZNQCLSA-N
MW370.41 g/mol
LogP2.41
Rot. Bonds5

About [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (PubChem CID 7378633) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
PubChem CID7378633
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESC[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O5/c1-14(27-20(25)15-3-2-4-18(23)13-15)19(24)21-16-5-7-17(8-6-16)22-9-11-26-12-10-22/h2-8,13-14,23H,9-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyZSLAQZFEACOPMF-AWEZNQCLSA-N
XLogP2.41
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7261537
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7753036
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 42974485
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7261645
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chloroquinoline-6-carboxylate
CID 55999040
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-fluorobenzoate
CID 8612340

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The IUPAC name of [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (CID 7378633) is [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.
What is the SMILES notation for [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The canonical SMILES for [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The InChIKey is ZSLAQZFEACOPMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(27-20(25)15-3-2-4-18(23)13-15)19(24)21-16-5-7-17(8-6-16)22-9-11-26-12-10-22/h2-8,13-14,23H,9-12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is sourced from PubChem (CID 7378633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).