tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate

C19H23F3N2O3 — CID 102557634

IUPACtert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)C2CC2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N2O3/c1-18(2,3)27-17(26)24-9-11(10-24)23-16(25)14-8-13(14)12-6-4-5-7-15(12)19(20,21)22/h4-7,11,13-14H,8-10H2,1-3H3,(H,23,25)
InChIKeyNUXNHWYBCWXSTQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate

tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate (PubChem CID 102557634) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate
PubChem CID102557634
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Nametert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)C2CC2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N2O3/c1-18(2,3)27-17(26)24-9-11(10-24)23-16(25)14-8-13(14)12-6-4-5-7-15(12)19(20,21)22/h4-7,11,13-14H,8-10H2,1-3H3,(H,23,25)
InChIKeyNUXNHWYBCWXSTQ-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 90666082
tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate
CID 23657400
tert-Butyl [(3R,4R)-6-oxo-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
CID 45140694
1,1-Dimethylethyl N-((3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl)carbamate
CID 86595042
tert-butyl N-[(5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 89821828
di-tert-Butyl-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]imidodicarbonate
CID 71651077
Tert-butyl 7-[2-(2,6-difluorophenyl)propan-2-yl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 166445604
3-Ethyl-4-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperazin-2-one
CID 60270148
tert-butyl N-[(2S)-3-(azetidin-1-yl)-3-oxo-2-phenylpropyl]carbamate
CID 96548816
[2-(2-Methylphenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone
CID 121575313
[2-(Methylaminomethyl)pyrrolidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 121576424
[2-(2,5-Difluorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 121576431

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate (CID 102557634) is tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NC(=O)C2CC2c2ccccc2C(F)(F)F)C1.
What is the InChIKey of tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate?
The InChIKey is NUXNHWYBCWXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-18(2,3)27-17(26)24-9-11(10-24)23-16(25)14-8-13(14)12-6-4-5-7-15(12)19(20,21)22/h4-7,11,13-14H,8-10H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate has a molecular weight of 384.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 102557634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).