[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C19H23NO8 — CID 7485301

IUPAC[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)O[C@@H]2CCOC2=O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H23NO8/c1-2-25-16-11-13(18(22)28-15-5-8-26-19(15)23)3-4-14(16)27-12-17(21)20-6-9-24-10-7-20/h3-4,11,15H,2,5-10,12H2,1H3/t15-/m1/s1
InChIKeyGKPNHGZZZFGGIA-OAHLLOKOSA-N
MW393.39 g/mol
LogP0.80
Rot. Bonds7

About [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 7485301) has the molecular formula C19H23NO8 and a molecular weight of 393.39 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID7485301
Molecular FormulaC19H23NO8
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)O[C@@H]2CCOC2=O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H23NO8/c1-2-25-16-11-13(18(22)28-15-5-8-26-19(15)23)3-4-14(16)27-12-17(21)20-6-9-24-10-7-20/h3-4,11,15H,2,5-10,12H2,1H3/t15-/m1/s1
InChIKeyGKPNHGZZZFGGIA-OAHLLOKOSA-N
XLogP0.80
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4656058
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]propanedinitrile
CID 1075423
[(3S)-2-oxooxolan-3-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 2411721
[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 7634049

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 7485301) is [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is CCOc1cc(C(=O)O[C@@H]2CCOC2=O)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is GKPNHGZZZFGGIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO8/c1-2-25-16-11-13(18(22)28-15-5-8-26-19(15)23)3-4-14(16)27-12-17(21)20-6-9-24-10-7-20/h3-4,11,15H,2,5-10,12H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 393.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 7485301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).