tert-butyl N-(2-amino-1-phenylpropyl)carbamate

C14H22N2O2 — CID 139022400

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

About tert-butyl N-(2-amino-1-phenylpropyl)carbamate

tert-butyl N-(2-amino-1-phenylpropyl)carbamate (PubChem CID 139022400) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-(2-amino-1-phenylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-1-phenylpropyl)carbamate
PubChem CID139022400
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-(2-amino-1-phenylpropyl)carbamate
SMILESCC(N)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(15)12(11-8-6-5-7-9-11)16-13(17)18-14(2,3)4/h5-10,12H,15H2,1-4H3,(H,16,17)
InChIKeyDTKPKZJZDMQSQF-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-(2-amino-1-phenylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-1-phenylpropyl)carbamate (CID 139022400) is tert-butyl N-(2-amino-1-phenylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-1-phenylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-1-phenylpropyl)carbamate is CC(N)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-amino-1-phenylpropyl)carbamate?
The InChIKey is DTKPKZJZDMQSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)12(11-8-6-5-7-9-11)16-13(17)18-14(2,3)4/h5-10,12H,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(2-amino-1-phenylpropyl)carbamate?
tert-butyl N-(2-amino-1-phenylpropyl)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-(2-amino-1-phenylpropyl)carbamate is sourced from PubChem (CID 139022400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).