tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate

C15H24N2O5 — CID 171884635

IUPACtert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate
SMILESCc1c[nH]c(=O)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O5/c1-9-7-10(13(20)17-8-9)12(19)11(18)5-6-16-14(21)22-15(2,3)4/h7-8,11-12,18-19H,5-6H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyADDYYNFYZSDSNH-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.99
Rot. Bonds5

About tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate

tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate (PubChem CID 171884635) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate
PubChem CID171884635
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nametert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate
SMILESCc1c[nH]c(=O)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O5/c1-9-7-10(13(20)17-8-9)12(19)11(18)5-6-16-14(21)22-15(2,3)4/h7-8,11-12,18-19H,5-6H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyADDYYNFYZSDSNH-UHFFFAOYSA-N
XLogP0.99
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170833226
tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
tert-butyl N-[4-(2-chloro-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884375
tert-butyl N-[3,4-dihydroxy-4-(5-nitro-6-oxo-1H-pyridin-3-yl)butyl]carbamate
CID 171885240
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
tert-butyl N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-2-yl)butyl]carbamate
CID 171884346
tert-butyl N-[4-(4-amino-2,5-dichlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884916
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
tert-butyl N-[4-(2-cyano-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884905
tert-butyl N-[3-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170831800
tert-butyl N-[4-(5-formyl-2-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884784

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate (CID 171884635) is tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate is Cc1c[nH]c(=O)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate?
The InChIKey is ADDYYNFYZSDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-9-7-10(13(20)17-8-9)12(19)11(18)5-6-16-14(21)22-15(2,3)4/h7-8,11-12,18-19H,5-6H2,1-4H3,(H,16,21)(H,17,20).
What are the key properties of tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate?
tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate is sourced from PubChem (CID 171884635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).