2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide

C12H20N2O2 — CID 164632823

IUPAC2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide
SMILESC=C[C@](C)(CC)C(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,5-2)11(16)14-7-9(8-14)6-10(13)15/h4,9H,1,5-8H2,2-3H3,(H2,13,15)/t12-/m1/s1
InChIKeyHXMRQFVQTKEXHR-GFCCVEGCSA-N
MW224.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide

2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide (PubChem CID 164632823) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide
PubChem CID164632823
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide
SMILESC=C[C@](C)(CC)C(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,5-2)11(16)14-7-9(8-14)6-10(13)15/h4,9H,1,5-8H2,2-3H3,(H2,13,15)/t12-/m1/s1
InChIKeyHXMRQFVQTKEXHR-GFCCVEGCSA-N
XLogP0.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide (CID 164632823) is 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide is C=C[C@](C)(CC)C(=O)N1CC(CC(N)=O)C1.
What is the InChIKey of 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide?
The InChIKey is HXMRQFVQTKEXHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(3,5-2)11(16)14-7-9(8-14)6-10(13)15/h4,9H,1,5-8H2,2-3H3,(H2,13,15)/t12-/m1/s1.
What are the key properties of 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide?
2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-ethyl-2-methylbut-3-enoyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 164632823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).