ethyl 2-(3-aminomorpholin-4-yl)benzoate

C13H18N2O3 — CID 174958106

IUPACethyl 2-(3-aminomorpholin-4-yl)benzoate
SMILESCCOC(=O)c1ccccc1N1CCOCC1N
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)10-5-3-4-6-11(10)15-7-8-17-9-12(15)14/h3-6,12H,2,7-9,14H2,1H3
InChIKeyICDGGPFPENIXKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds3

About ethyl 2-(3-aminomorpholin-4-yl)benzoate

ethyl 2-(3-aminomorpholin-4-yl)benzoate (PubChem CID 174958106) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(3-aminomorpholin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(3-aminomorpholin-4-yl)benzoate
PubChem CID174958106
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-(3-aminomorpholin-4-yl)benzoate
SMILESCCOC(=O)c1ccccc1N1CCOCC1N
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)10-5-3-4-6-11(10)15-7-8-17-9-12(15)14/h3-6,12H,2,7-9,14H2,1H3
InChIKeyICDGGPFPENIXKM-UHFFFAOYSA-N
XLogP0.98
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
methyl 4-(2-carbamothioylphenyl)morpholine-3-carboxylate
CID 104774646
ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113191614
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoate
CID 118695790
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate
CID 24727471
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminomorpholin-4-yl)benzoate?
The IUPAC name of ethyl 2-(3-aminomorpholin-4-yl)benzoate (CID 174958106) is ethyl 2-(3-aminomorpholin-4-yl)benzoate.
What is the SMILES notation for ethyl 2-(3-aminomorpholin-4-yl)benzoate?
The canonical SMILES for ethyl 2-(3-aminomorpholin-4-yl)benzoate is CCOC(=O)c1ccccc1N1CCOCC1N.
What is the InChIKey of ethyl 2-(3-aminomorpholin-4-yl)benzoate?
The InChIKey is ICDGGPFPENIXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(16)10-5-3-4-6-11(10)15-7-8-17-9-12(15)14/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of ethyl 2-(3-aminomorpholin-4-yl)benzoate?
ethyl 2-(3-aminomorpholin-4-yl)benzoate has a molecular weight of 250.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminomorpholin-4-yl)benzoate is sourced from PubChem (CID 174958106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).