3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid

C12H21NO4 — CID 82821469

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
SMILESCCC1COC(C)CN1C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-5-9-7-17-8(2)6-13(9)10(14)12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyODVGREYWPGJQAX-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds3

About 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid

3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82821469) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82821469
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
SMILESCCC1COC(C)CN1C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-5-9-7-17-8(2)6-13(9)10(14)12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyODVGREYWPGJQAX-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-2-methylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103029074
2-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylbutanethioamide
CID 113270534
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpentanoic acid
CID 61424809
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
2-hydroxyethyl 5-ethyl-2-methylmorpholine-4-carboxylate
CID 79345232

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid (CID 82821469) is 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid is CCC1COC(C)CN1C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is ODVGREYWPGJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-9-7-17-8(2)6-13(9)10(14)12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid?
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82821469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).