1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

C12H20N2O4 — CID 81163145

IUPAC1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCC1CN(C(=O)NC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-2-9-8-14(6-7-18-9)11(17)13-12(10(15)16)4-3-5-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyNEJMJJCXXIEISZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.81
Rot. Bonds3

About 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81163145) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81163145
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCC1CN(C(=O)NC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-2-9-8-14(6-7-18-9)11(17)13-12(10(15)16)4-3-5-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyNEJMJJCXXIEISZ-UHFFFAOYSA-N
XLogP0.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311332
2-ethylmorpholine-4-carboxylic acid
CID 121455686
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-(2-ethylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65240974
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81163145) is 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is CCC1CN(C(=O)NC2(C(=O)O)CCC2)CCO1.
What is the InChIKey of 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is NEJMJJCXXIEISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-9-8-14(6-7-18-9)11(17)13-12(10(15)16)4-3-5-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).