(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S — CID 163529336

IUPAC(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C(C)OC(=O)N1CSC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO4S/c1-6(2)7(3)15-10(14)11-5-16-4-8(11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyDROPBKVLTMZYEI-BRFYHDHCSA-N
MW247.32 g/mol
LogP1.63
Rot. Bonds3

About (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 163529336) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID163529336
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C(C)OC(=O)N1CSC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO4S/c1-6(2)7(3)15-10(14)11-5-16-4-8(11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyDROPBKVLTMZYEI-BRFYHDHCSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 163529336) is (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)C(C)OC(=O)N1CSC[C@@H]1C(=O)O.
What is the InChIKey of (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DROPBKVLTMZYEI-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-6(2)7(3)15-10(14)11-5-16-4-8(11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)/t7?,8-/m1/s1.
What are the key properties of (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-methylbutan-2-yloxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 163529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).