tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate

C11H21NO4 — CID 160809924

IUPACtert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCO
InChIInChI=1S/C11H21NO4/c1-8(9(14)6-5-7-13)12-10(15)16-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1
InChIKeyAJKJAABLTKKZCL-MRVPVSSYSA-N
MW231.29 g/mol
LogP1.24
Rot. Bonds5

About tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate

tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate (PubChem CID 160809924) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate
PubChem CID160809924
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCO
InChIInChI=1S/C11H21NO4/c1-8(9(14)6-5-7-13)12-10(15)16-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1
InChIKeyAJKJAABLTKKZCL-MRVPVSSYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-7-hydroxy-3-oxoheptan-2-yl]carbamate
CID 75406863
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864
tert-butyl N-[(2S)-3,6-dioxoheptan-2-yl]carbamate
CID 58195942
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate
CID 15674439
tert-butyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 112704269
tert-butyl N-[(2R)-4-bromo-3-oxobutan-2-yl]carbamate
CID 146049642
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2R)-4-cyano-3-oxobutan-2-yl]carbamate
CID 178105123
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate (CID 160809924) is tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCO.
What is the InChIKey of tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate?
The InChIKey is AJKJAABLTKKZCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(9(14)6-5-7-13)12-10(15)16-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate?
tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate is sourced from PubChem (CID 160809924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).