N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide

C12H20F3N3O2 — CID 164636043

IUPACN-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-4-16-10(19)9-5-18(6-9)11(20)8(2)17(3)7-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeyOQWMBPVFVKZEEJ-QMMMGPOBSA-N
MW295.31 g/mol
LogP0.46
Rot. Bonds5

About N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide

N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide (PubChem CID 164636043) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide
PubChem CID164636043
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-4-16-10(19)9-5-18(6-9)11(20)8(2)17(3)7-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeyOQWMBPVFVKZEEJ-QMMMGPOBSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide (CID 164636043) is N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide is CCNC(=O)C1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide?
The InChIKey is OQWMBPVFVKZEEJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-4-16-10(19)9-5-18(6-9)11(20)8(2)17(3)7-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,19)/t8-/m0/s1.
What are the key properties of N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide?
N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide is sourced from PubChem (CID 164636043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).