tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate

C15H24N2O2 — CID 84729717

IUPACtert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
SMILESCc1ccc(CC(CN)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)9-13(10-16)17-14(18)19-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyRIPOVZLHZWJXOC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate

tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate (PubChem CID 84729717) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
PubChem CID84729717
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
SMILESCc1ccc(CC(CN)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)9-13(10-16)17-14(18)19-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyRIPOVZLHZWJXOC-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-4-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 100991768
ethyl (2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 89458542
methyl (2R)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135055605
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
tert-butyl N-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]carbamate
CID 138645608
(2S)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154814740
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[3-[(4-methylphenyl)methyl]pentan-2-yl]carbamate
CID 177166633
ethyl 4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 67151474
tert-butyl N-[1-hydroxy-3-(4-iodophenyl)propan-2-yl]carbamate
CID 45358210
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate (CID 84729717) is tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate is Cc1ccc(CC(CN)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate?
The InChIKey is RIPOVZLHZWJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)9-13(10-16)17-14(18)19-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate?
tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.39, 4 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-3-(4-methylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 84729717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).