2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

C11H20N2O4 — CID 61264784

IUPAC2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1COCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-8-7-17-6-5-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyFDDKCMLFTOTTMA-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds3

About 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61264784) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61264784
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1COCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-8-7-17-6-5-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyFDDKCMLFTOTTMA-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
CID 43613314
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (CID 61264784) is 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is CCC1COCCN1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is FDDKCMLFTOTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-8-7-17-6-5-13(8)10(16)12-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61264784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).