tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate

C16H24N2O4 — CID 140925195

IUPACtert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CO[C@H]2CCOC2)n1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)17-9-12-5-4-6-13(18-12)10-21-14-7-8-20-11-14/h4-6,14H,7-11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyHDDABIAXJOFUAL-AWEZNQCLSA-N
MW308.38 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate

tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate (PubChem CID 140925195) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
PubChem CID140925195
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CO[C@H]2CCOC2)n1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)17-9-12-5-4-6-13(18-12)10-21-14-7-8-20-11-14/h4-6,14H,7-11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyHDDABIAXJOFUAL-AWEZNQCLSA-N
XLogP2.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645
6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
tert-butyl N-[[6-[(1-benzhydrylazetidin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 86618646
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate (CID 140925195) is tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(CO[C@H]2CCOC2)n1.
What is the InChIKey of tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is HDDABIAXJOFUAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)17-9-12-5-4-6-13(18-12)10-21-14-7-8-20-11-14/h4-6,14H,7-11H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 140925195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).