tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate

C11H21NO3 — CID 22884155

IUPACtert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate
SMILESCCCC[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyOBMGXPJNZKYOQY-SECBINFHSA-N
MW215.29 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate (PubChem CID 22884155) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate
PubChem CID22884155
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate
SMILESCCCC[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyOBMGXPJNZKYOQY-SECBINFHSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate
CID 448022
tert-butyl N-((2S)-1-oxobutan-2-yl)carbamate
CID 10241556
tert-butyl N-((2S)-1-oxopentan-2-yl)carbamate
CID 10262225
tert-butyl N-(1-cyclohexyl-2-oxoethyl)carbamate
CID 23644230
Carbamic acid, [(1S)-1-formylpentyl]-, 1,1-dimethylethyl ester
CID 10420833
(S)-tert-Butyl (3-methyl-1-oxobutan-2-yl)carbamate
CID 6917569
((S)-1-Formyl-pentyl)-carbamic acid 1-isopropyl-2-methyl-propyl ester
CID 44343356
((S)-1-Formyl-pentyl)-carbamic acid 1-propyl-butyl ester
CID 44343357
tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate
CID 104275
(S)-Tert-butyl 1-cyclohexyl-3-oxopropan-2-ylcarbamate
CID 10848617
((S)-1-Formyl-2-methyl-butyl)-carbamic acid tert-butyl ester
CID 11053055
((S)-1-Formyl-hexyl)-carbamic acid tert-butyl ester
CID 44326654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate (CID 22884155) is tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate is CCCC[C@H](C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate?
The InChIKey is OBMGXPJNZKYOQY-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 22884155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).