3-(2-ethylmorpholine-4-carbonyl)benzoic acid

C14H17NO4 — CID 43563067

IUPAC3-(2-ethylmorpholine-4-carbonyl)benzoic acid
SMILESCCC1CN(C(=O)c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C14H17NO4/c1-2-12-9-15(6-7-19-12)13(16)10-4-3-5-11(8-10)14(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyLVHAPZXSENIBAJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.64
Rot. Bonds3

About 3-(2-ethylmorpholine-4-carbonyl)benzoic acid

3-(2-ethylmorpholine-4-carbonyl)benzoic acid (PubChem CID 43563067) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(2-ethylmorpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(2-ethylmorpholine-4-carbonyl)benzoic acid
PubChem CID43563067
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(2-ethylmorpholine-4-carbonyl)benzoic acid
SMILESCCC1CN(C(=O)c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C14H17NO4/c1-2-12-9-15(6-7-19-12)13(16)10-4-3-5-11(8-10)14(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyLVHAPZXSENIBAJ-UHFFFAOYSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 113432240
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)benzoic acid?
The IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)benzoic acid (CID 43563067) is 3-(2-ethylmorpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 3-(2-ethylmorpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 3-(2-ethylmorpholine-4-carbonyl)benzoic acid is CCC1CN(C(=O)c2cccc(C(=O)O)c2)CCO1.
What is the InChIKey of 3-(2-ethylmorpholine-4-carbonyl)benzoic acid?
The InChIKey is LVHAPZXSENIBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-12-9-15(6-7-19-12)13(16)10-4-3-5-11(8-10)14(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,18).
What are the key properties of 3-(2-ethylmorpholine-4-carbonyl)benzoic acid?
3-(2-ethylmorpholine-4-carbonyl)benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 43563067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).