tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate

C17H29N3O4S — CID 59941001

IUPACtert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H29N3O4S/c1-17(2,3)24-16(23)18-8-6-7-14(21)20-12-25-11-13(20)15(22)19-9-4-5-10-19/h13H,4-12H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyLJQNCWMGWZRGPT-ZDUSSCGKSA-N
MW371.50 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate

tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate (PubChem CID 59941001) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate
PubChem CID59941001
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Nametert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H29N3O4S/c1-17(2,3)24-16(23)18-8-6-7-14(21)20-12-25-11-13(20)15(22)19-9-4-5-10-19/h13H,4-12H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyLJQNCWMGWZRGPT-ZDUSSCGKSA-N
XLogP1.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate (CID 59941001) is tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate?
The InChIKey is LJQNCWMGWZRGPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-17(2,3)24-16(23)18-8-6-7-14(21)20-12-25-11-13(20)15(22)19-9-4-5-10-19/h13H,4-12H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate?
tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate has a molecular weight of 371.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butyl]carbamate is sourced from PubChem (CID 59941001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).