1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid

C12H18N2O6 — CID 115535465

IUPAC1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
SMILESCOC(=O)CC1CN(C(=O)N2CC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H18N2O6/c1-19-10(15)4-9-7-13(2-3-20-9)12(18)14-5-8(6-14)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyDMKOLWIUVCKCBS-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.61
Rot. Bonds3

About 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid

1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid (PubChem CID 115535465) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
PubChem CID115535465
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
SMILESCOC(=O)CC1CN(C(=O)N2CC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H18N2O6/c1-19-10(15)4-9-7-13(2-3-20-9)12(18)14-5-8(6-14)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyDMKOLWIUVCKCBS-UHFFFAOYSA-N
XLogP-0.61
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 81204434
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
CID 114826544
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261
methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid (CID 115535465) is 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid is COC(=O)CC1CN(C(=O)N2CC(C(=O)O)C2)CCO1.
What is the InChIKey of 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The InChIKey is DMKOLWIUVCKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-19-10(15)4-9-7-13(2-3-20-9)12(18)14-5-8(6-14)11(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 115535465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).