[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate

C35H46N4O11 — CID 159322893

IUPAC[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1.CCCC(=O)OC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C18H22N2O6.C17H24N2O5/c1-2-3-17(22)25-11-15-10-20(18(23)26-15)14-6-4-13(5-7-14)19-8-9-24-12-16(19)21;1-2-3-17(22)24-11-15(20)10-18-13-4-6-14(7-5-13)19-8-9-23-12-16(19)21/h4-7,15H,2-3,8-12H2,1H3;4-7,15,18,20H,2-3,8-12H2,1H3/t2*15-/m11/s1
InChIKeyLDZIAHNQUOTOQS-PZYGRECOSA-N
MW698.77 g/mol
LogP2.88
Rot. Bonds14

About [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate

[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate (PubChem CID 159322893) has the molecular formula C35H46N4O11 and a molecular weight of 698.77 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate
PubChem CID159322893
Molecular FormulaC35H46N4O11
Molecular Weight698.77 g/mol
Exact Mass698.32
IUPAC Name[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1.CCCC(=O)OC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C18H22N2O6.C17H24N2O5/c1-2-3-17(22)25-11-15-10-20(18(23)26-15)14-6-4-13(5-7-14)19-8-9-24-12-16(19)21;1-2-3-17(22)24-11-15(20)10-18-13-4-6-14(7-5-13)19-8-9-23-12-16(19)21/h4-7,15H,2-3,8-12H2,1H3;4-7,15,18,20H,2-3,8-12H2,1H3/t2*15-/m11/s1
InChIKeyLDZIAHNQUOTOQS-PZYGRECOSA-N
XLogP2.88
TPSA173.48 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
tert-butyl N-[(2S)-3-chloro-2-hydroxypropyl]carbamate;tert-butyl 3-[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]propanoate;4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(4-nitrophenyl) N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate;sulfane
CID 158211808
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
benzyl N-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamate
CID 139419850

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate?
The IUPAC name of [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate (CID 159322893) is [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate?
The canonical SMILES for [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate is CCCC(=O)OC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1.CCCC(=O)OC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1.
What is the InChIKey of [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate?
The InChIKey is LDZIAHNQUOTOQS-PZYGRECOSA-N. The full InChI is InChI=1S/C18H22N2O6.C17H24N2O5/c1-2-3-17(22)25-11-15-10-20(18(23)26-15)14-6-4-13(5-7-14)19-8-9-24-12-16(19)21;1-2-3-17(22)24-11-15(20)10-18-13-4-6-14(7-5-13)19-8-9-23-12-16(19)21/h4-7,15H,2-3,8-12H2,1H3;4-7,15,18,20H,2-3,8-12H2,1H3/t2*15-/m11/s1.
What are the key properties of [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate?
[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate has a molecular weight of 698.77 g/mol, XLogP of 2.88, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate is sourced from PubChem (CID 159322893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).