tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate

C17H28N2O4 — CID 173490592

IUPACtert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate
SMILESCC(CCc1ncccc1O[C@H](C)CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O4/c1-12(19-16(21)23-17(3,4)5)8-9-14-15(7-6-10-18-14)22-13(2)11-20/h6-7,10,12-13,20H,8-9,11H2,1-5H3,(H,19,21)/t12?,13-/m1/s1
InChIKeySQMMDBHZTLLKHU-ZGTCLIOFSA-N
MW324.42 g/mol
LogP2.69
Rot. Bonds7

About tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate

tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate (PubChem CID 173490592) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate
PubChem CID173490592
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate
SMILESCC(CCc1ncccc1O[C@H](C)CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O4/c1-12(19-16(21)23-17(3,4)5)8-9-14-15(7-6-10-18-14)22-13(2)11-20/h6-7,10,12-13,20H,8-9,11H2,1-5H3,(H,19,21)/t12?,13-/m1/s1
InChIKeySQMMDBHZTLLKHU-ZGTCLIOFSA-N
XLogP2.69
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 53403784
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2S)-4-[3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-2-pyridinyl]but-3-yn-2-yl]carbamate
CID 71068168
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
CID 58242120
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate
CID 83980493
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate (CID 173490592) is tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate is CC(CCc1ncccc1O[C@H](C)CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate?
The InChIKey is SQMMDBHZTLLKHU-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(19-16(21)23-17(3,4)5)8-9-14-15(7-6-10-18-14)22-13(2)11-20/h6-7,10,12-13,20H,8-9,11H2,1-5H3,(H,19,21)/t12?,13-/m1/s1.
What are the key properties of tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate?
tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate is sourced from PubChem (CID 173490592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).