(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S — CID 54995462

IUPAC(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-7(2)11(3-4-13)10(16)12-6-17-5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyPGKQCXJZMHUQDS-QMMMGPOBSA-N
MW262.33 g/mol
LogP0.27
Rot. Bonds4

About (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54995462) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54995462
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-7(2)11(3-4-13)10(16)12-6-17-5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyPGKQCXJZMHUQDS-QMMMGPOBSA-N
XLogP0.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxypropyl(propan-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904966
3-[butan-2-yl(butyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55004481
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104864060
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
4-[ethyl(propan-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904060
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54995462) is (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)N(CCO)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PGKQCXJZMHUQDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-7(2)11(3-4-13)10(16)12-6-17-5-8(12)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54995462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).