(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide

C11H23N3O2S — CID 10038310

IUPAC(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CN
InChIInChI=1S/C11H23N3O2S/c1-11(2,3)13-10(16)9-6-17-7-14(9)5-8(15)4-12/h8-9,15H,4-7,12H2,1-3H3,(H,13,16)/t8?,9-/m0/s1
InChIKeyZACIYYAWZHNHGP-GKAPJAKFSA-N
MW261.39 g/mol
LogP-0.40
Rot. Bonds4

About (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide

(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide (PubChem CID 10038310) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide
PubChem CID10038310
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CN
InChIInChI=1S/C11H23N3O2S/c1-11(2,3)13-10(16)9-6-17-7-14(9)5-8(15)4-12/h8-9,15H,4-7,12H2,1-3H3,(H,13,16)/t8?,9-/m0/s1
InChIKeyZACIYYAWZHNHGP-GKAPJAKFSA-N
XLogP-0.40
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide (CID 10038310) is (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CN.
What is the InChIKey of (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZACIYYAWZHNHGP-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-11(2,3)13-10(16)9-6-17-7-14(9)5-8(15)4-12/h8-9,15H,4-7,12H2,1-3H3,(H,13,16)/t8?,9-/m0/s1.
What are the key properties of (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 261.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10038310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).