tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate

C16H28N4O3 — CID 51095722

IUPACtert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
SMILESCc1nn(C)c(C)c1C(C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-9(13-10(2)19-20(8)12(13)4)17-14(21)11(3)18-15(22)23-16(5,6)7/h9,11H,1-8H3,(H,17,21)(H,18,22)/t9?,11-/m1/s1
InChIKeyMPMDVXCQMOYOLZ-HCCKASOXSA-N
MW324.43 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate (PubChem CID 51095722) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
PubChem CID51095722
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
SMILESCc1nn(C)c(C)c1C(C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-9(13-10(2)19-20(8)12(13)4)17-14(21)11(3)18-15(22)23-16(5,6)7/h9,11H,1-8H3,(H,17,21)(H,18,22)/t9?,11-/m1/s1
InChIKeyMPMDVXCQMOYOLZ-HCCKASOXSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate (CID 51095722) is tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate is Cc1nn(C)c(C)c1C(C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The InChIKey is MPMDVXCQMOYOLZ-HCCKASOXSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-9(13-10(2)19-20(8)12(13)4)17-14(21)11(3)18-15(22)23-16(5,6)7/h9,11H,1-8H3,(H,17,21)(H,18,22)/t9?,11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 51095722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).