2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

C12H20N2O4 — CID 64618204

IUPAC2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CC(CC(=O)O)C2)CC(C)O1
InChIInChI=1S/C12H20N2O4/c1-8-4-13(5-9(2)18-8)12(17)14-6-10(7-14)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyUTPFVVCZTVNNKI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds2

About 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid

2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64618204) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64618204
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CC(CC(=O)O)C2)CC(C)O1
InChIInChI=1S/C12H20N2O4/c1-8-4-13(5-9(2)18-8)12(17)14-6-10(7-14)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyUTPFVVCZTVNNKI-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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Related Compounds

2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617027
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2-[1-(thiomorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618608
2-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetic acid
CID 64616622
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid (CID 64618204) is 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is CC1CN(C(=O)N2CC(CC(=O)O)C2)CC(C)O1.
What is the InChIKey of 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is UTPFVVCZTVNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-4-13(5-9(2)18-8)12(17)14-6-10(7-14)3-11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(2,6-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-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).