benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate

C22H28N2O3 — CID 11152854

IUPACbenzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-21(2,3)23-19(25)22(4,15-17-11-7-5-8-12-17)24-20(26)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeyWJSJJIYAEFTAAT-JOCHJYFZSA-N
MW368.48 g/mol
LogP3.83
Rot. Bonds6

About benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 11152854) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID11152854
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namebenzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-21(2,3)23-19(25)22(4,15-17-11-7-5-8-12-17)24-20(26)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeyWJSJJIYAEFTAAT-JOCHJYFZSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate with MolForge

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Related Compounds

methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
(2S)-4,4-difluoro-2-methyl-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 66660816
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
(2S)-4-chloro-2-methyl-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 87094408
benzyl N-(1-bromo-3-methyl-2-oxopentan-3-yl)carbamate
CID 104701636
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
benzyl N-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-3-benzylsulfanyl-2-methyl-1-oxopropan-2-yl]amino]-3-benzylsulfanyl-2-methyl-1-oxopropan-2-yl]amino]-3-benzylsulfanyl-2-methyl-1-oxopropan-2-yl]carbamate
CID 10996347
benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
CID 102156454
tert-butyl 2-methyl-2-[[(2R)-2-methyl-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 10742920
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate (CID 11152854) is benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is WJSJJIYAEFTAAT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-21(2,3)23-19(25)22(4,15-17-11-7-5-8-12-17)24-20(26)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,23,25)(H,24,26)/t22-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 11152854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).