2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

C13H23N3O4 — CID 102658660

IUPAC2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCN(C(=O)N1CC(C)(OCC(=O)O)C1)C1CCNCC1
InChIInChI=1S/C13H23N3O4/c1-13(20-7-11(17)18)8-16(9-13)12(19)15(2)10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyADAQFQIAOCTJCH-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.03
Rot. Bonds4

About 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102658660) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102658660
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCN(C(=O)N1CC(C)(OCC(=O)O)C1)C1CCNCC1
InChIInChI=1S/C13H23N3O4/c1-13(20-7-11(17)18)8-16(9-13)12(19)15(2)10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyADAQFQIAOCTJCH-UHFFFAOYSA-N
XLogP-0.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658697
2-[1-[2-(azetidin-3-yl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658206
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659924
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658780
2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 102658660) is 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is CN(C(=O)N1CC(C)(OCC(=O)O)C1)C1CCNCC1.
What is the InChIKey of 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is ADAQFQIAOCTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(20-7-11(17)18)8-16(9-13)12(19)15(2)10-3-5-14-6-4-10/h10,14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 285.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).