2-ethylmorpholine-4-carboxylic acid

C7H13NO3 — CID 121455686

IUPAC2-ethylmorpholine-4-carboxylic acid
SMILESCCC1CN(C(=O)O)CCO1
InChIInChI=1S/C7H13NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyAFXFZAKZQNKGJA-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.78
Rot. Bonds1

About 2-ethylmorpholine-4-carboxylic acid

2-ethylmorpholine-4-carboxylic acid (PubChem CID 121455686) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-ethylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethylmorpholine-4-carboxylic acid
PubChem CID121455686
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-ethylmorpholine-4-carboxylic acid
SMILESCCC1CN(C(=O)O)CCO1
InChIInChI=1S/C7H13NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyAFXFZAKZQNKGJA-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
CID 95154056
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 43562559
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 95153981
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406

Frequently Asked Questions

What is the IUPAC name of 2-ethylmorpholine-4-carboxylic acid?
The IUPAC name of 2-ethylmorpholine-4-carboxylic acid (CID 121455686) is 2-ethylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2-ethylmorpholine-4-carboxylic acid?
The canonical SMILES for 2-ethylmorpholine-4-carboxylic acid is CCC1CN(C(=O)O)CCO1.
What is the InChIKey of 2-ethylmorpholine-4-carboxylic acid?
The InChIKey is AFXFZAKZQNKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-ethylmorpholine-4-carboxylic acid?
2-ethylmorpholine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylmorpholine-4-carboxylic acid is sourced from PubChem (CID 121455686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).