tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate

C14H20FNO2 — CID 101249448

IUPACtert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)[C@@](C)(N)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)14(4,16)9-10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3/t14-/m0/s1
InChIKeyMIDBUYKMONIIDK-AWEZNQCLSA-N
MW253.32 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate

tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate (PubChem CID 101249448) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate
PubChem CID101249448
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nametert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)[C@@](C)(N)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)14(4,16)9-10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3/t14-/m0/s1
InChIKeyMIDBUYKMONIIDK-AWEZNQCLSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
ethyl 4-(2-fluorophenyl)-3-hydroxy-2,2,3-trimethylbutanoate
CID 114834438
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445
tert-butyl N-[2-[(2-fluorophenyl)methyl]-2-methyl-3-oxopropyl]carbamate
CID 84730984
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 151721030
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
CID 142321737
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
methyl 2-ethyl-4-(2-fluorophenyl)-3-hydroxy-3-methylbutanoate
CID 114834429

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate (CID 101249448) is tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate is CC(C)(C)OC(=O)[C@@](C)(N)Cc1ccccc1F.
What is the InChIKey of tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate?
The InChIKey is MIDBUYKMONIIDK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-13(2,3)18-12(17)14(4,16)9-10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate?
tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate has a molecular weight of 253.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 101249448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).