(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid

C15H19NO4S — CID 45481671

IUPAC(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O
InChIInChI=1S/C15H19NO4S/c1-15(2,3)20-14(19)16-11(13(17)18)9-21-12(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyQTGJLLUGEPDNFX-PXYINDEMSA-N
MW309.39 g/mol
LogP3.12
Rot. Bonds2

About (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 45481671) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID45481671
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O
InChIInChI=1S/C15H19NO4S/c1-15(2,3)20-14(19)16-11(13(17)18)9-21-12(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyQTGJLLUGEPDNFX-PXYINDEMSA-N
XLogP3.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylthiazolidine-4-carboxylic acid
CID 39237
2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 569775
5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 41947
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 54587081
Methyl 7-benzyl-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663602
CID 66554423
CID 66554423
3-Acetyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2731623
3-Acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 3238943
(4R)-3-(2-chloroacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 12915752
(4R)-2-phenylthiazolidine-4-carboxylic acid
CID 11009168
tert-Butyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazolidine-3-carboxylate
CID 3064945
(2R,4R)-2-(p-Tolyl)thiazolidine-4-carboxylic acid
CID 782658

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 45481671) is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid is CC(C)(C)OC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QTGJLLUGEPDNFX-PXYINDEMSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-15(2,3)20-14(19)16-11(13(17)18)9-21-12(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)/t11-,12?/m0/s1.
What are the key properties of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 45481671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).