tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate

C18H32N2O5 — CID 23520236

IUPACtert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
SMILESCCCC[C@H](CC(=O)NO)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-5-6-9-13(12-15(21)19-24)16(22)20-11-8-7-10-14(20)17(23)25-18(2,3)4/h13-14,24H,5-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyQTELMBMDOCVXHM-KGLIPLIRSA-N
MW356.46 g/mol
LogP2.41
Rot. Bonds7

About tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate

tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate (PubChem CID 23520236) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
PubChem CID23520236
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nametert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
SMILESCCCC[C@H](CC(=O)NO)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-5-6-9-13(12-15(21)19-24)16(22)20-11-8-7-10-14(20)17(23)25-18(2,3)4/h13-14,24H,5-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyQTELMBMDOCVXHM-KGLIPLIRSA-N
XLogP2.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-1-[(2R)-2-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]heptanoyl]pyrrolidine-2-carboxylate
CID 10766846
(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
CID 142133700
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
tert-butyl (2S)-1-[(2R)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
CID 59908492
(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520196
2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 67523029
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
CID 54275952
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate (CID 23520236) is tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate is CCCC[C@H](CC(=O)NO)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate?
The InChIKey is QTELMBMDOCVXHM-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-5-6-9-13(12-15(21)19-24)16(22)20-11-8-7-10-14(20)17(23)25-18(2,3)4/h13-14,24H,5-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate?
tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 23520236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).