2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C11H18N2O6 — CID 106670657

IUPAC2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)N2CC(O)C(O)C2)C1
InChIInChI=1S/C11H18N2O6/c1-11(19-4-9(16)17)5-13(6-11)10(18)12-2-7(14)8(15)3-12/h7-8,14-15H,2-6H2,1H3,(H,16,17)
InChIKeyJODBKMCFBSSHRX-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.68
Rot. Bonds3

About 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 106670657) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID106670657
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)N2CC(O)C(O)C2)C1
InChIInChI=1S/C11H18N2O6/c1-11(19-4-9(16)17)5-13(6-11)10(18)12-2-7(14)8(15)3-12/h7-8,14-15H,2-6H2,1H3,(H,16,17)
InChIKeyJODBKMCFBSSHRX-UHFFFAOYSA-N
XLogP-1.68
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658618
2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659193
2-[1-[2-(azetidin-3-yl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658206
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
2-[1-[(1,1-dioxothian-4-yl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658627
2-[3-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102891329
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 106670657) is 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)N2CC(O)C(O)C2)C1.
What is the InChIKey of 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is JODBKMCFBSSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-11(19-4-9(16)17)5-13(6-11)10(18)12-2-7(14)8(15)3-12/h7-8,14-15H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 274.27 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 106670657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).