tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate

C14H21NO2 — CID 15533683

IUPACtert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate
SMILESC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyNTQSCEHKRVIYNR-NSHDSACASA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate (PubChem CID 15533683) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate
PubChem CID15533683
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate
SMILESC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyNTQSCEHKRVIYNR-NSHDSACASA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate (CID 15533683) is tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate is C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate?
The InChIKey is NTQSCEHKRVIYNR-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 15533683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).