N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide

C14H22F3N3O3 — CID 129433456

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide
SMILESCOCC(=O)NC1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O3/c1-23-8-11(21)18-10-6-20(7-10)13(22)19-12(14(15,16)17)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyOKWSQKMFESJDME-LBPRGKRZSA-N
MW337.34 g/mol
LogP1.26
Rot. Bonds5

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide (PubChem CID 129433456) has the molecular formula C14H22F3N3O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide
PubChem CID129433456
Molecular FormulaC14H22F3N3O3
Molecular Weight337.34 g/mol
Exact Mass337.16
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide
SMILESCOCC(=O)NC1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O3/c1-23-8-11(21)18-10-6-20(7-10)13(22)19-12(14(15,16)17)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyOKWSQKMFESJDME-LBPRGKRZSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
2-methoxy-N-(1-methylazetidin-3-yl)acetamide
CID 23557883
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
2-methoxy-N-[2-[(2-methoxyacetyl)amino]cyclohexyl]acetamide
CID 54302346
2-methoxy-N-[1-(2-methylbutan-2-yl)azetidin-3-yl]acetamide
CID 130272272
1-N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide
CID 135169207
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
(2S)-1-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 124591348
N-(azetidin-3-yl)-2-methoxyacetamide
CID 55299715
2-methoxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide
CID 165469168
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide (CID 129433456) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide is COCC(=O)NC1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide?
The InChIKey is OKWSQKMFESJDME-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22F3N3O3/c1-23-8-11(21)18-10-6-20(7-10)13(22)19-12(14(15,16)17)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2-methoxyacetyl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 129433456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).