1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid

C10H15NO6 — CID 14623901

IUPAC1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid
SMILESCOCN1C(=O)C(C(C)C)C1(C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO6/c1-5(2)6-7(12)11(4-17-3)10(6,8(13)14)9(15)16/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyTXZGCUFCKQZPNL-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.39
Rot. Bonds5

About 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid

1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid (PubChem CID 14623901) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid
PubChem CID14623901
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid
SMILESCOCN1C(=O)C(C(C)C)C1(C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO6/c1-5(2)6-7(12)11(4-17-3)10(6,8(13)14)9(15)16/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyTXZGCUFCKQZPNL-UHFFFAOYSA-N
XLogP-0.39
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid?
The IUPAC name of 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid (CID 14623901) is 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid is COCN1C(=O)C(C(C)C)C1(C(=O)O)C(=O)O.
What is the InChIKey of 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid?
The InChIKey is TXZGCUFCKQZPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-5(2)6-7(12)11(4-17-3)10(6,8(13)14)9(15)16/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid?
1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid is sourced from PubChem (CID 14623901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).