(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

C11H21N3O2S — CID 119600037

IUPAC(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C11H21N3O2S/c1-7(2)4-11(3,6-12)14-9(15)8-5-17-10(16)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyNLXYBSTWPKCJHZ-YMNIQAILSA-N
MW259.38 g/mol
LogP0.69
Rot. Bonds5

About (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 119600037) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID119600037
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C11H21N3O2S/c1-7(2)4-11(3,6-12)14-9(15)8-5-17-10(16)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyNLXYBSTWPKCJHZ-YMNIQAILSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119608653
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893424
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
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N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
CID 83138084

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 119600037) is (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC(C)CC(C)(CN)NC(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is NLXYBSTWPKCJHZ-YMNIQAILSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-7(2)4-11(3,6-12)14-9(15)8-5-17-10(16)13-8/h7-8H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1.
What are the key properties of (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 259.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119600037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).