tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate

C17H26N2O3 — CID 58067181

IUPACtert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCOC1[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-7-11-21-15(19)14(18)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3/t14-,15?/m0/s1
InChIKeyLQRUILAPMRNHRA-MLCCFXAWSA-N
MW306.41 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate

tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate (PubChem CID 58067181) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
PubChem CID58067181
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCOC1[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-7-11-21-15(19)14(18)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3/t14-,15?/m0/s1
InChIKeyLQRUILAPMRNHRA-MLCCFXAWSA-N
XLogP2.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[1-[(2,3,4,5,6-pentafluorophenoxy)carbonylamino]-2-phenylethyl]-1,3-oxazinane-3-carboxylate
CID 88872329
methyl 2-amino-3-phenylpropanoate;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 175474800
tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
2-benzyl-4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-oxobutanoic acid
CID 22847733
tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 87613011
tert-butyl 2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4527733
tert-butyl 2-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-[(2,3,4,5,6-pentafluorophenoxy)carbonylamino]ethyl]-1,3-oxazinane-3-carboxylate
CID 88872283
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554529

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate (CID 58067181) is tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate is CC(C)(C)OC(=O)N1CCCOC1[C@@H](N)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate?
The InChIKey is LQRUILAPMRNHRA-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-7-11-21-15(19)14(18)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate?
tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 58067181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).