tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate

C17H23F3N2O3 — CID 155164381

IUPACtert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate
SMILESCC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-16(2,3)25-14(23)9-8-13(21)15(24)22-10-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10,21H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyGKKGIKBWHJKUCO-CYBMUJFWSA-N
MW360.38 g/mol
LogP2.77
Rot. Bonds6

About tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate

tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate (PubChem CID 155164381) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate.

Molecular Properties

Compound Nametert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate
PubChem CID155164381
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Nametert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate
SMILESCC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-16(2,3)25-14(23)9-8-13(21)15(24)22-10-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10,21H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyGKKGIKBWHJKUCO-CYBMUJFWSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate with MolForge

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Related Compounds

tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
CID 67334815
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
ditert-butyl (2S)-2-[4-(trifluoromethyl)anilino]pentanedioate
CID 177395978
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
(2S)-2-[[(3S)-3-amino-4-oxo-4-[[4-(trifluoromethyl)phenyl]methylamino]butanoyl]amino]propanoic acid
CID 11394327
tert-butyl N-[3-(4-hydroxyphenyl)-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 175450551
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate?
The IUPAC name of tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate (CID 155164381) is tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate.
What is the SMILES notation for tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate?
The canonical SMILES for tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate is CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate?
The InChIKey is GKKGIKBWHJKUCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-16(2,3)25-14(23)9-8-13(21)15(24)22-10-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10,21H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate?
tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate has a molecular weight of 360.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate is sourced from PubChem (CID 155164381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).