ethyl 4-[(2S)-morpholin-2-yl]benzoate

C13H17NO3 — CID 167721608

IUPACethyl 4-[(2S)-morpholin-2-yl]benzoate
SMILESCCOC(=O)c1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-2-16-13(15)11-5-3-10(4-6-11)12-9-14-7-8-17-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyAHSSKKQAJXVKKW-GFCCVEGCSA-N
MW235.28 g/mol
LogP1.52
Rot. Bonds3

About ethyl 4-[(2S)-morpholin-2-yl]benzoate

ethyl 4-[(2S)-morpholin-2-yl]benzoate (PubChem CID 167721608) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 4-[(2S)-morpholin-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2S)-morpholin-2-yl]benzoate
PubChem CID167721608
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 4-[(2S)-morpholin-2-yl]benzoate
SMILESCCOC(=O)c1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-2-16-13(15)11-5-3-10(4-6-11)12-9-14-7-8-17-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyAHSSKKQAJXVKKW-GFCCVEGCSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174869251
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
methyl-(4-morpholin-2-ylphenoxy)phosphinic acid
CID 90023533
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-morpholin-2-yl]benzoate?
The IUPAC name of ethyl 4-[(2S)-morpholin-2-yl]benzoate (CID 167721608) is ethyl 4-[(2S)-morpholin-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[(2S)-morpholin-2-yl]benzoate?
The canonical SMILES for ethyl 4-[(2S)-morpholin-2-yl]benzoate is CCOC(=O)c1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of ethyl 4-[(2S)-morpholin-2-yl]benzoate?
The InChIKey is AHSSKKQAJXVKKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-16-13(15)11-5-3-10(4-6-11)12-9-14-7-8-17-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m1/s1.
What are the key properties of ethyl 4-[(2S)-morpholin-2-yl]benzoate?
ethyl 4-[(2S)-morpholin-2-yl]benzoate has a molecular weight of 235.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-morpholin-2-yl]benzoate is sourced from PubChem (CID 167721608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).