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

C12H19N3O5 — CID 106258414

IUPAC2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCN1CCC(NC(=O)N2CC(C)(OCC(=O)O)C2)C1=O
InChIInChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)13-8-3-4-14(2)10(8)18/h8H,3-7H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyQWBTZYUIJZRVDO-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.90
Rot. Bonds4

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

2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 106258414) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID106258414
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCN1CCC(NC(=O)N2CC(C)(OCC(=O)O)C2)C1=O
InChIInChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)13-8-3-4-14(2)10(8)18/h8H,3-7H2,1-2H3,(H,13,19)(H,16,17)
InChIKeyQWBTZYUIJZRVDO-UHFFFAOYSA-N
XLogP-0.90
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid with MolForge

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Related Compounds

2-[2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 65688075
2-[2-[[3-(Dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79463566
2-[2-[[3-(Diethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79463655
2-[2-[[Methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79464031
2-[2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464152
2-[2-[[2-(Methylcarbamoyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79464214
2-[2-[(1-Methylpyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464396
2-[2-[4-(3-Methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]ethoxy]acetic acid
CID 79468904
2-[2-[[2-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79469023
2-[1-[2-(Carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657209
2-[1-[2-(Carbamoylamino)-3-methylbutanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657257
2-[1-[2-(2,2-Dimethylpropanoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657259

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 106258414) is 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is CN1CCC(NC(=O)N2CC(C)(OCC(=O)O)C2)C1=O.
What is the InChIKey of 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is QWBTZYUIJZRVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(20-5-9(16)17)6-15(7-12)11(19)13-8-3-4-14(2)10(8)18/h8H,3-7H2,1-2H3,(H,13,19)(H,16,17).
What are the key properties of 2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.90, 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-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 106258414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).