tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate

C17H30N4O3 — CID 51095440

IUPACtert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(C)n(CC(C)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H30N4O3/c1-11(10-21-13(3)8-12(2)20-21)9-18-15(22)14(4)19-16(23)24-17(5,6)7/h8,11,14H,9-10H2,1-7H3,(H,18,22)(H,19,23)/t11?,14-/m1/s1
InChIKeyOUOBRYBGUAZWIV-SBXXRYSUSA-N
MW338.45 g/mol
LogP2.17
Rot. Bonds6

About tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 51095440) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID51095440
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(C)n(CC(C)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H30N4O3/c1-11(10-21-13(3)8-12(2)20-21)9-18-15(22)14(4)19-16(23)24-17(5,6)7/h8,11,14H,9-10H2,1-7H3,(H,18,22)(H,19,23)/t11?,14-/m1/s1
InChIKeyOUOBRYBGUAZWIV-SBXXRYSUSA-N
XLogP2.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.17
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-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate (CID 51095440) is tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate is Cc1cc(C)n(CC(C)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is OUOBRYBGUAZWIV-SBXXRYSUSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11(10-21-13(3)8-12(2)20-21)9-18-15(22)14(4)19-16(23)24-17(5,6)7/h8,11,14H,9-10H2,1-7H3,(H,18,22)(H,19,23)/t11?,14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 2.17, 6 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-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 51095440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).