tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate

C15H23FN4O4 — CID 67229965

IUPACtert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate
SMILESCn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CC(F)C2)n1
InChIInChI=1S/C15H23FN4O4/c1-14(2,3)24-13(23)18-15(7-9(16)8-15)11(21)12(22)17-10-5-6-20(4)19-10/h5-6,9,11,21H,7-8H2,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyXRPLNCZQMLLQTF-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.11
Rot. Bonds4

About tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate

tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate (PubChem CID 67229965) has the molecular formula C15H23FN4O4 and a molecular weight of 342.37 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate
PubChem CID67229965
Molecular FormulaC15H23FN4O4
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate
SMILESCn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CC(F)C2)n1
InChIInChI=1S/C15H23FN4O4/c1-14(2,3)24-13(23)18-15(7-9(16)8-15)11(21)12(22)17-10-5-6-20(4)19-10/h5-6,9,11,21H,7-8H2,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyXRPLNCZQMLLQTF-UHFFFAOYSA-N
XLogP1.11
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate (CID 67229965) is tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate is Cn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CC(F)C2)n1.
What is the InChIKey of tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate?
The InChIKey is XRPLNCZQMLLQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O4/c1-14(2,3)24-13(23)18-15(7-9(16)8-15)11(21)12(22)17-10-5-6-20(4)19-10/h5-6,9,11,21H,7-8H2,1-4H3,(H,18,23)(H,17,19,22).
What are the key properties of tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate?
tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate has a molecular weight of 342.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-fluoro-1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate is sourced from PubChem (CID 67229965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).