tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate

C14H21NO2 — CID 134989278

IUPACtert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
SMILESCc1ccccc1C[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-7-5-6-8-11(10)9-12(15)13(16)17-14(2,3)4/h5-8,12H,9,15H2,1-4H3/t12-/m1/s1
InChIKeyXYFSODSBEPYXPO-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate

tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate (PubChem CID 134989278) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
PubChem CID134989278
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
SMILESCc1ccccc1C[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-7-5-6-8-11(10)9-12(15)13(16)17-14(2,3)4/h5-8,12H,9,15H2,1-4H3/t12-/m1/s1
InChIKeyXYFSODSBEPYXPO-GFCCVEGCSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-amino-4-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95475905
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
tert-butyl 2-amino-3-(2,6-dimethylphenyl)propanoate
CID 83225158
tert-butyl 2-cyano-3-(2-methylphenyl)propanoate
CID 102082957
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
1-phenylethyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 57253473
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
tert-butyl N-[3-[1-(2-methylphenyl)propan-2-ylamino]propyl]carbamate
CID 103781124
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258
tert-butyl N-[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamate
CID 165466152
tert-butyl 2-amino-3-[2-(2,4-dimethoxyphenyl)phenyl]propanoate;hydrochloride
CID 142046049

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate?
The IUPAC name of tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate (CID 134989278) is tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate is Cc1ccccc1C[C@@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate?
The InChIKey is XYFSODSBEPYXPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-5-6-8-11(10)9-12(15)13(16)17-14(2,3)4/h5-8,12H,9,15H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate?
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 134989278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).