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

C12H19N3O5 — CID 102658847

IUPAC2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)14-8-3-2-4-13-10(8)18/h8H,2-7H2,1H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyKEFXLNYSAPGCIH-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.85
Rot. Bonds4

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

2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102658847) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102658847
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)14-8-3-2-4-13-10(8)18/h8H,2-7H2,1H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyKEFXLNYSAPGCIH-UHFFFAOYSA-N
XLogP-0.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106258414
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658909
2-[1-[(1,1-dioxothian-4-yl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658627
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658307
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 122556803
3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide
CID 125436263
2-[3-methyl-1-(thiolane-2-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657651

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 102658847) is 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)NC2CCCNC2=O)C1.
What is the InChIKey of 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is KEFXLNYSAPGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)14-8-3-2-4-13-10(8)18/h8H,2-7H2,1H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).