tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate

C16H24N2O5 — CID 139401860

IUPACtert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@@H]1COCC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-11-6-5-8-18(14(11)19)12-7-9-22-10-13(12)21-4/h5-6,8,12-13H,7,9-10H2,1-4H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyMYYXHGMFKNDDCD-QWHCGFSZSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 139401860) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate
PubChem CID139401860
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@@H]1COCC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-11-6-5-8-18(14(11)19)12-7-9-22-10-13(12)21-4/h5-6,8,12-13H,7,9-10H2,1-4H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyMYYXHGMFKNDDCD-QWHCGFSZSA-N
XLogP2.17
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate (CID 139401860) is tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate is CO[C@@H]1COCC[C@@H]1n1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is MYYXHGMFKNDDCD-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)17-11-6-5-8-18(14(11)19)12-7-9-22-10-13(12)21-4/h5-6,8,12-13H,7,9-10H2,1-4H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 139401860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).