tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate

C16H24N2O4 — CID 137457755

IUPACtert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H](O)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-13-8-5-9-18(14(13)20)11-6-4-7-12(19)10-11/h5,8-9,11-12,19H,4,6-7,10H2,1-3H3,(H,17,21)/t11-,12-/m1/s1
InChIKeyZPOMMHSZQPZXSB-VXGBXAGGSA-N
MW308.38 g/mol
LogP2.67
Rot. Bonds2

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

tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137457755) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137457755
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H](O)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-13-8-5-9-18(14(13)20)11-6-4-7-12(19)10-11/h5,8-9,11-12,19H,4,6-7,10H2,1-3H3,(H,17,21)/t11-,12-/m1/s1
InChIKeyZPOMMHSZQPZXSB-VXGBXAGGSA-N
XLogP2.67
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate (CID 137457755) is tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H](O)C2)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is ZPOMMHSZQPZXSB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-13-8-5-9-18(14(13)20)11-6-4-7-12(19)10-11/h5,8-9,11-12,19H,4,6-7,10H2,1-3H3,(H,17,21)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.67, 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-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137457755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).