2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid

C12H19N3O5 — CID 102658909

IUPAC2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1C(=O)NCCN1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H19N3O5/c1-8-10(18)13-3-4-15(8)11(19)14-6-12(2,7-14)20-5-9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyUYMSFGYBVOFCFQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.90
Rot. Bonds3

About 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658909) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658909
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1C(=O)NCCN1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H19N3O5/c1-8-10(18)13-3-4-15(8)11(19)14-6-12(2,7-14)20-5-9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyUYMSFGYBVOFCFQ-UHFFFAOYSA-N
XLogP-0.90
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658847
4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 63607667
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63607820
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983885
2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658799
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
2-[3-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102891329
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658618

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102658909) is 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is CC1C(=O)NCCN1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is UYMSFGYBVOFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8-10(18)13-3-4-15(8)11(19)14-6-12(2,7-14)20-5-9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).