propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate

C15H26N2O6S — CID 101338601

IUPACpropyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate
SMILESCCCC[C@@H](C(=O)N1CSC[C@H]1C(=O)OCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C15H26N2O6S/c1-3-5-6-10(12(18)13(19)16-22)14(20)17-9-24-8-11(17)15(21)23-7-4-2/h10-12,18,22H,3-9H2,1-2H3,(H,16,19)/t10-,11+,12+/m1/s1
InChIKeyRZFDXNJZXGBJFG-WOPDTQHZSA-N
MW362.45 g/mol
LogP0.51
Rot. Bonds9

About propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate

propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 101338601) has the molecular formula C15H26N2O6S and a molecular weight of 362.45 g/mol. Its IUPAC name is propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID101338601
Molecular FormulaC15H26N2O6S
Molecular Weight362.45 g/mol
Exact Mass362.15
IUPAC Namepropyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate
SMILESCCCC[C@@H](C(=O)N1CSC[C@H]1C(=O)OCCC)[C@H](O)C(=O)NO
InChIInChI=1S/C15H26N2O6S/c1-3-5-6-10(12(18)13(19)16-22)14(20)17-9-24-8-11(17)15(21)23-7-4-2/h10-12,18,22H,3-9H2,1-2H3,(H,16,19)/t10-,11+,12+/m1/s1
InChIKeyRZFDXNJZXGBJFG-WOPDTQHZSA-N
XLogP0.51
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate (CID 101338601) is propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate is CCCC[C@@H](C(=O)N1CSC[C@H]1C(=O)OCCC)[C@H](O)C(=O)NO.
What is the InChIKey of propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is RZFDXNJZXGBJFG-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H26N2O6S/c1-3-5-6-10(12(18)13(19)16-22)14(20)17-9-24-8-11(17)15(21)23-7-4-2/h10-12,18,22H,3-9H2,1-2H3,(H,16,19)/t10-,11+,12+/m1/s1.
What are the key properties of propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate?
propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 101338601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).