3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid

C9H16N2O4 — CID 122017931

IUPAC3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
SMILESCOC1(C)CN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15-2)5-11(6-9)8(14)10-4-3-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyDWQWBXCEMYTUKN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds4

About 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid

3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid (PubChem CID 122017931) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
PubChem CID122017931
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
SMILESCOC1(C)CN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15-2)5-11(6-9)8(14)10-4-3-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyDWQWBXCEMYTUKN-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic 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

3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
CID 122017870
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
2-[1-(2-methoxyethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658451
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
4-[(3-methoxy-3-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122022389
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
2-[3-methyl-1-(4,4,4-trifluorobutylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659066
2-[3-methyl-1-(4-methylsulfanylbutylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659152
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 61203101
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid (CID 122017931) is 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid is COC1(C)CN(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DWQWBXCEMYTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(15-2)5-11(6-9)8(14)10-4-3-7(12)13/h3-6H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid?
3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122017931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).