tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate

C16H25NO2 — CID 134965842

IUPACtert-butyl (2R)-4-(benzylamino)-2-methylbutanoate
SMILESC[C@H](CCNCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(15(18)19-16(2,3)4)10-11-17-12-14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3/t13-/m1/s1
InChIKeyGDAJKFGWUXOKBS-CYBMUJFWSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds6

About tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate

tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate (PubChem CID 134965842) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-4-(benzylamino)-2-methylbutanoate
PubChem CID134965842
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl (2R)-4-(benzylamino)-2-methylbutanoate
SMILESC[C@H](CCNCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(15(18)19-16(2,3)4)10-11-17-12-14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3/t13-/m1/s1
InChIKeyGDAJKFGWUXOKBS-CYBMUJFWSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-methyl-4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]butanoate
CID 154755120
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl (2S)-2-[3-(benzylamino)propanoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 153486880
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228
tert-butyl N-[4-amino-3-(benzylamino)-4-oxobutyl]carbamate
CID 102730645
2-amino-4-(benzylamino)butanoic acid;2-methylpropane
CID 143664363
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate?
The IUPAC name of tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate (CID 134965842) is tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate is C[C@H](CCNCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate?
The InChIKey is GDAJKFGWUXOKBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(15(18)19-16(2,3)4)10-11-17-12-14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate?
tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate has a molecular weight of 263.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate is sourced from PubChem (CID 134965842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).