tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate

C13H24N2O4 — CID 11514590

IUPACtert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCC1)C(O)C(N)=O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9(10(16)11(14)17)7-8-5-4-6-8/h8-10,16H,4-7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyKCDNFVJMBIUAFE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.92
Rot. Bonds5

About tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate

tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate (PubChem CID 11514590) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
PubChem CID11514590
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCC1)C(O)C(N)=O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9(10(16)11(14)17)7-8-5-4-6-8/h8-10,16H,4-7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyKCDNFVJMBIUAFE-UHFFFAOYSA-N
XLogP0.92
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate (CID 11514590) is tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CC1CCC1)C(O)C(N)=O.
What is the InChIKey of tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate?
The InChIKey is KCDNFVJMBIUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9(10(16)11(14)17)7-8-5-4-6-8/h8-10,16H,4-7H2,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate?
tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate has a molecular weight of 272.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate is sourced from PubChem (CID 11514590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).