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

C13H22N2O3 — CID 64616809

IUPAC2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CC(C)CN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-10(2)6-14(5-9)13(18)15-7-11(8-15)4-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyGTWKFMIAKMHUEJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds2

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

2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64616809) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64616809
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
SMILESCC1CC(C)CN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-10(2)6-14(5-9)13(18)15-7-11(8-15)4-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyGTWKFMIAKMHUEJ-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
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-(3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]acetic acid
CID 114411788
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617036
2-[1-(1,4-thiazepane-4-carbonyl)azetidin-3-yl]acetic acid
CID 64616839
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid (CID 64616809) is 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is CC1CC(C)CN(C(=O)N2CC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is GTWKFMIAKMHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-10(2)6-14(5-9)13(18)15-7-11(8-15)4-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).