tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate

C14H20N2O3 — CID 73172540

IUPACtert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-9(16-13(18)19-14(2,3)4)12(17)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,18)
InChIKeyGXKFIBVEKURWOC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 73172540) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID73172540
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-9(16-13(18)19-14(2,3)4)12(17)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,18)
InChIKeyGXKFIBVEKURWOC-UHFFFAOYSA-N
XLogP2.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
tert-butyl N-[(2S)-1-(3-bromo-2-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 139886108
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
(3-amino-2-bromo-6-methoxyphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175427297
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
S-phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 58517097
tert-butyl N-[(2S)-1-(5-methylthiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468160
tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
tert-butyl N-[(2S)-1-(5-amino-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-1-yl)-1-oxopropan-2-yl]carbamate
CID 23552805
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
CID 123183364
CID 123183364

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate (CID 73172540) is tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)c1ccccc1N.
What is the InChIKey of tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is GXKFIBVEKURWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(16-13(18)19-14(2,3)4)12(17)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 73172540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).