1-(2-propoxyacetyl)azetidine-3-carboxylic acid

C9H15NO4 — CID 107938026

IUPAC1-(2-propoxyacetyl)azetidine-3-carboxylic acid
SMILESCCCOCC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-2-3-14-6-8(11)10-4-7(5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyODSQQYGGDUXFIA-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds5

About 1-(2-propoxyacetyl)azetidine-3-carboxylic acid

1-(2-propoxyacetyl)azetidine-3-carboxylic acid (PubChem CID 107938026) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2-propoxyacetyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyacetyl)azetidine-3-carboxylic acid
PubChem CID107938026
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(2-propoxyacetyl)azetidine-3-carboxylic acid
SMILESCCCOCC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-2-3-14-6-8(11)10-4-7(5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyODSQQYGGDUXFIA-UHFFFAOYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
1-(2-propoxyacetyl)piperidine-3,4-dicarboxylic acid
CID 107938324
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-propoxyethanone
CID 113412124
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-propoxyethanone
CID 107938523
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 120742989

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyacetyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-propoxyacetyl)azetidine-3-carboxylic acid (CID 107938026) is 1-(2-propoxyacetyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyacetyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-propoxyacetyl)azetidine-3-carboxylic acid is CCCOCC(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(2-propoxyacetyl)azetidine-3-carboxylic acid?
The InChIKey is ODSQQYGGDUXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-14-6-8(11)10-4-7(5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-propoxyacetyl)azetidine-3-carboxylic acid?
1-(2-propoxyacetyl)azetidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyacetyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 107938026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).