2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

C12H19NO5 — CID 120976260

IUPAC2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOCC1CN(C(=O)C2CCC2C(=O)O)CCO1
InChIInChI=1S/C12H19NO5/c1-17-7-8-6-13(4-5-18-8)11(14)9-2-3-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyVWDFICBYZXMSJL-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.03
Rot. Bonds4

About 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120976260) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120976260
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCOCC1CN(C(=O)C2CCC2C(=O)O)CCO1
InChIInChI=1S/C12H19NO5/c1-17-7-8-6-13(4-5-18-8)11(14)9-2-3-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyVWDFICBYZXMSJL-UHFFFAOYSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 43562559
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793015
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
(1-aminocyclopropyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793003
[2-(methoxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328879
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(methoxymethyl)morpholin-4-yl]ethanone
CID 119793029
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
(1-aminocyclopentyl)-[(2S)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 125119390
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 124721809
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (CID 120976260) is 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is COCC1CN(C(=O)C2CCC2C(=O)O)CCO1.
What is the InChIKey of 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is VWDFICBYZXMSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-17-7-8-6-13(4-5-18-8)11(14)9-2-3-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).