2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid

C11H17NO4S — CID 63782007

IUPAC2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)OC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C11H17NO4S/c1-6(2)16-11(15)12-8(10(13)14)5-17-9(12)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyPOIDORDBLLDEET-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.77
Rot. Bonds3

About 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63782007) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63782007
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)OC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C11H17NO4S/c1-6(2)16-11(15)12-8(10(13)14)5-17-9(12)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyPOIDORDBLLDEET-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-propan-2-yloxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 112602179
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
3-[(2S)-2-amino-4-methylpentanoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 55237260
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877
3-(4-amino-2-methylbutanoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 80544782
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 63782007) is 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid is CC(C)OC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is POIDORDBLLDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-6(2)16-11(15)12-8(10(13)14)5-17-9(12)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63782007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).