tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate

C14H22N2O2 — CID 70079471

IUPACtert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(16-13(17)18-14(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12H,15H2,1-4H3,(H,16,17)
InChIKeySQWVCBMYWHDLCU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate

tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate (PubChem CID 70079471) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate
PubChem CID70079471
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(16-13(17)18-14(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12H,15H2,1-4H3,(H,16,17)
InChIKeySQWVCBMYWHDLCU-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate (CID 70079471) is tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate is CC(NC(=O)OC(C)(C)C)C(N)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate?
The InChIKey is SQWVCBMYWHDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-13(17)18-14(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12H,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate?
tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 70079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).