tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate

C15H20F3NO4 — CID 76571202

IUPACtert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(C(F)(F)F)cc1)C(O)CO
InChIInChI=1S/C15H20F3NO4/c1-14(2,3)23-13(22)19-12(11(21)8-20)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-12,20-21H,8H2,1-3H3,(H,19,22)
InChIKeyMBRGDCACXRQZMO-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate

tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate (PubChem CID 76571202) has the molecular formula C15H20F3NO4 and a molecular weight of 335.32 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
PubChem CID76571202
Molecular FormulaC15H20F3NO4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Nametert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(C(F)(F)F)cc1)C(O)CO
InChIInChI=1S/C15H20F3NO4/c1-14(2,3)23-13(22)19-12(11(21)8-20)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-12,20-21H,8H2,1-3H3,(H,19,22)
InChIKeyMBRGDCACXRQZMO-UHFFFAOYSA-N
XLogP2.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate 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

diethyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-[4-(trifluoromethyl)phenyl]methyl]propanedioate
CID 101431703
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 2766034
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 25417845
tert-butyl N-[(2S,3R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 140541784
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
tert-butyl N-[(1R)-1-(4-aminophenyl)-2,2-difluoroethyl]carbamate
CID 175666923
methyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56636219
tert-butyl N-[(1R,2R)-1-(5-bromo-2-fluoro-3-pyridinyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
CID 86673420
tert-butyl N-[2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propyl]carbamate
CID 89199023
tert-butyl N-[1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 155783295
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate (CID 76571202) is tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate is CC(C)(C)OC(=O)NC(c1ccc(C(F)(F)F)cc1)C(O)CO.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
The InChIKey is MBRGDCACXRQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4/c1-14(2,3)23-13(22)19-12(11(21)8-20)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-12,20-21H,8H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate has a molecular weight of 335.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 76571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).