tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

C16H24N2O3 — CID 14136105

IUPACtert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(18-15(20)21-16(2,3)4)14(19)17-11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyDWCKCKZLQKVVDN-LBPRGKRZSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds5

About tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (PubChem CID 14136105) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
PubChem CID14136105
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(18-15(20)21-16(2,3)4)14(19)17-11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyDWCKCKZLQKVVDN-LBPRGKRZSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(2-phenylethylamino)pentanoate
CID 175380231
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
tert-butyl N-[3-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamate
CID 167024032
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
dimethyl-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-phenylethylamino)butyl]sulfanium
CID 11092235
dimethyl-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-phenylethylamino)butyl]sulfanium iodide
CID 10962050
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
tert-butyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate
CID 11349880
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (CID 14136105) is tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The InChIKey is DWCKCKZLQKVVDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(18-15(20)21-16(2,3)4)14(19)17-11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 14136105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).