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

C15H22N2O4 — CID 137450686

IUPACtert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-6-5-9-17(13(10)18)11-7-8-12(11)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyCKKPWPFZVVWLPW-RYUDHWBXSA-N
MW294.35 g/mol
LogP2.55
Rot. Bonds3

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

tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450686) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450686
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-6-5-9-17(13(10)18)11-7-8-12(11)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyCKKPWPFZVVWLPW-RYUDHWBXSA-N
XLogP2.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate (CID 137450686) is tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate is CO[C@H]1CC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is CKKPWPFZVVWLPW-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-6-5-9-17(13(10)18)11-7-8-12(11)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1S,2S)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).