2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

C12H20N2O4 — CID 64617027

IUPAC2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CC(CC(=O)O)C2)C(C)CO1
InChIInChI=1S/C12H20N2O4/c1-8-7-18-9(2)4-14(8)12(17)13-5-10(6-13)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBKXHNCAKNAPQAX-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds2

About 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64617027) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64617027
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CC(CC(=O)O)C2)C(C)CO1
InChIInChI=1S/C12H20N2O4/c1-8-7-18-9(2)4-14(8)12(17)13-5-10(6-13)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBKXHNCAKNAPQAX-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (CID 64617027) is 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is CC1CN(C(=O)N2CC(CC(=O)O)C2)C(C)CO1.
What is the InChIKey of 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is BKXHNCAKNAPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-7-18-9(2)4-14(8)12(17)13-5-10(6-13)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).