tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate

C9H17F3N2O2 — CID 178201471

IUPACtert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@](C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2,3)16-6(15)14-5-8(4,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyVUJYUXIYKIAWQB-MRVPVSSYSA-N
MW242.24 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate

tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate (PubChem CID 178201471) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
PubChem CID178201471
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Nametert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@](C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2,3)16-6(15)14-5-8(4,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyVUJYUXIYKIAWQB-MRVPVSSYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate (CID 178201471) is tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate is CC(C)(C)OC(=O)NC[C@@](C)(N)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate?
The InChIKey is VUJYUXIYKIAWQB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(2,3)16-6(15)14-5-8(4,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate?
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate has a molecular weight of 242.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate is sourced from PubChem (CID 178201471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).