tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate

C14H20N2O4 — CID 137450636

IUPACtert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)15-9-5-4-8-16(12(9)18)10-6-7-11(10)17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,15,19)/t10?,11-/m0/s1
InChIKeyUNASOPXLIQGMRL-DTIOYNMSSA-N
MW280.32 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450636) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450636
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)15-9-5-4-8-16(12(9)18)10-6-7-11(10)17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,15,19)/t10?,11-/m0/s1
InChIKeyUNASOPXLIQGMRL-DTIOYNMSSA-N
XLogP1.89
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2S)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449073
1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449076
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449428
tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450686
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
CID 137450708
tert-butyl N-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]carbamate
CID 137450731
3-amino-1-[(1R,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450803
3-amino-1-[(1S,2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450805
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450808
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137450818
tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137457648
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457685

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate (CID 137450636) is tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CC[C@@H]2O)c1=O.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is UNASOPXLIQGMRL-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)15-9-5-4-8-16(12(9)18)10-6-7-11(10)17/h4-5,8,10-11,17H,6-7H2,1-3H3,(H,15,19)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).