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

C14H24N2O4 — CID 116684155

IUPAC2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CCCC(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-11(14(18)19)12-9-15(10-12)4-2-3-13(17)16-5-7-20-8-6-16/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyGFVJEFWZZFZYFF-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.28
Rot. Bonds6

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

2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid (PubChem CID 116684155) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
PubChem CID116684155
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CCCC(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-11(14(18)19)12-9-15(10-12)4-2-3-13(17)16-5-7-20-8-6-16/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyGFVJEFWZZFZYFF-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
2-amino-4-(4-morpholin-4-yl-4-oxobutyl)sulfanylbutanoic acid
CID 54933104
4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 62063781
[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
CID 25138440
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
CID 102682178
2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
CID 116684049
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid (CID 116684155) is 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(CCCC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid?
The InChIKey is GFVJEFWZZFZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(14(18)19)12-9-15(10-12)4-2-3-13(17)16-5-7-20-8-6-16/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid?
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).