tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate

C17H30N2O6 — CID 22667025

IUPACtert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
SMILESCCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(O)C(=O)NO
InChIInChI=1S/C17H30N2O6/c1-5-6-8-11(13(20)14(21)18-24)15(22)19-10-7-9-12(19)16(23)25-17(2,3)4/h11-13,20,24H,5-10H2,1-4H3,(H,18,21)
InChIKeyHTBDWONNPLMHNP-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.99
Rot. Bonds7

About tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate

tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate (PubChem CID 22667025) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
PubChem CID22667025
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Nametert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
SMILESCCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(O)C(=O)NO
InChIInChI=1S/C17H30N2O6/c1-5-6-8-11(13(20)14(21)18-24)15(22)19-10-7-9-12(19)16(23)25-17(2,3)4/h11-13,20,24H,5-10H2,1-4H3,(H,18,21)
InChIKeyHTBDWONNPLMHNP-UHFFFAOYSA-N
XLogP0.99
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate (CID 22667025) is tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate is CCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(O)C(=O)NO.
What is the InChIKey of tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate?
The InChIKey is HTBDWONNPLMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-5-6-8-11(13(20)14(21)18-24)15(22)19-10-7-9-12(19)16(23)25-17(2,3)4/h11-13,20,24H,5-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate?
tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 22667025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).