2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid

C13H22N2O4 — CID 102659162

IUPAC2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESC=CCCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-4-5-6-7-14(3)12(18)15-9-13(2,10-15)19-8-11(16)17/h4H,1,5-10H2,2-3H3,(H,16,17)
InChIKeyVLGIHBLYWDCLMA-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.18
Rot. Bonds7

About 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659162) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659162
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESC=CCCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-4-5-6-7-14(3)12(18)15-9-13(2,10-15)19-8-11(16)17/h4H,1,5-10H2,2-3H3,(H,16,17)
InChIKeyVLGIHBLYWDCLMA-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 102659162) is 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid is C=CCCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is VLGIHBLYWDCLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-5-6-7-14(3)12(18)15-9-13(2,10-15)19-8-11(16)17/h4H,1,5-10H2,2-3H3,(H,16,17).
What are the key properties of 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[methyl(pent-4-enyl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).