2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid

C12H20N2O4 — CID 116684337

IUPAC2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c1-9(12(16)17)10-6-13(7-10)8-11(15)14-2-4-18-5-3-14/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXUPYPDRHLPWSEG-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.50
Rot. Bonds4

About 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid

2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid (PubChem CID 116684337) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
PubChem CID116684337
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c1-9(12(16)17)10-6-13(7-10)8-11(15)14-2-4-18-5-3-14/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXUPYPDRHLPWSEG-UHFFFAOYSA-N
XLogP-0.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]acetic acid
CID 64616071
2-[4-(2-methylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317208
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 72900917
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid (CID 116684337) is 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid?
The InChIKey is XUPYPDRHLPWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(12(16)17)10-6-13(7-10)8-11(15)14-2-4-18-5-3-14/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid?
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).