tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate

C18H26F3NO4 — CID 11132584

IUPACtert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CC(COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3NO4/c1-17(2,3)26-16(24)22-15(10-23)9-14(18(19,20)21)12-25-11-13-7-5-4-6-8-13/h4-8,14-15,23H,9-12H2,1-3H3,(H,22,24)/t14?,15-/m1/s1
InChIKeySUGIZPZRESFTSA-YSSOQSIOSA-N
MW377.40 g/mol
LogP3.66
Rot. Bonds8

About tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate

tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate (PubChem CID 11132584) has the molecular formula C18H26F3NO4 and a molecular weight of 377.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
PubChem CID11132584
Molecular FormulaC18H26F3NO4
Molecular Weight377.40 g/mol
Exact Mass377.18
IUPAC Nametert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CC(COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3NO4/c1-17(2,3)26-16(24)22-15(10-23)9-14(18(19,20)21)12-25-11-13-7-5-4-6-8-13/h4-8,14-15,23H,9-12H2,1-3H3,(H,22,24)/t14?,15-/m1/s1
InChIKeySUGIZPZRESFTSA-YSSOQSIOSA-N
XLogP3.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate with MolForge

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Related Compounds

N-alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester
CID 7010515
5-(Benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 295483
L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester
CID 83589
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Boc-D-glutamic acid 1-benzyl ester
CID 3255276
5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate
CID 107472
1-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate
CID 153708
benzyl N-(4-hydroxybutyl)carbamate
CID 3366758
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
CID 11020511
(S)-2-Cbz-aminobutane-1,4-diol
CID 7022411
benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate
CID 451539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate (CID 11132584) is tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)CC(COCc1ccccc1)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate?
The InChIKey is SUGIZPZRESFTSA-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H26F3NO4/c1-17(2,3)26-16(24)22-15(10-23)9-14(18(19,20)21)12-25-11-13-7-5-4-6-8-13/h4-8,14-15,23H,9-12H2,1-3H3,(H,22,24)/t14?,15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate?
tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate has a molecular weight of 377.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-5,5,5-trifluoro-1-hydroxy-4-(phenylmethoxymethyl)pentan-2-yl]carbamate is sourced from PubChem (CID 11132584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).