tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate

C13H20N2O2 — CID 15675183

IUPACtert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyIJALRZPKODHZOR-NSHDSACASA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate

tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate (PubChem CID 15675183) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
PubChem CID15675183
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyIJALRZPKODHZOR-NSHDSACASA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate (CID 15675183) is tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
The InChIKey is IJALRZPKODHZOR-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate?
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate is sourced from PubChem (CID 15675183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).