(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride

C10H20ClN3O2S — CID 119608653

IUPAC(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)[C@@H]1CSC(=O)N1.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-6(2)10(3,5-11)13-8(14)7-4-16-9(15)12-7;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t7-,10?;/m0./s1
InChIKeyBOFZXAUVZOQSEL-WFWYDLLNSA-N
MW281.81 g/mol
LogP0.72
Rot. Bonds4

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

(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119608653) has the molecular formula C10H20ClN3O2S and a molecular weight of 281.81 g/mol. Its IUPAC name is (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119608653
Molecular FormulaC10H20ClN3O2S
Molecular Weight281.81 g/mol
Exact Mass281.10
IUPAC Name(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)[C@@H]1CSC(=O)N1.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-6(2)10(3,5-11)13-8(14)7-4-16-9(15)12-7;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t7-,10?;/m0./s1
InChIKeyBOFZXAUVZOQSEL-WFWYDLLNSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 119600037
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399
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-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104981103

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119608653) is (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)[C@@H]1CSC(=O)N1.Cl.
What is the InChIKey of (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is BOFZXAUVZOQSEL-WFWYDLLNSA-N. The full InChI is InChI=1S/C10H19N3O2S.ClH/c1-6(2)10(3,5-11)13-8(14)7-4-16-9(15)12-7;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t7-,10?;/m0./s1.
What are the key properties of (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119608653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).