tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate

C14H22N2O2 — CID 26188507

IUPACtert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUWVGACXUNLBOAQ-LBPRGKRZSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate

tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate (PubChem CID 26188507) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
PubChem CID26188507
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCN)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUWVGACXUNLBOAQ-LBPRGKRZSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(1S)-3-amino-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate (CID 26188507) is tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCN)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate?
The InChIKey is UWVGACXUNLBOAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate?
tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate is sourced from PubChem (CID 26188507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).