2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C12H17NO4S — CID 104855708

IUPAC2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)[C@H]1CCCO1
InChIInChI=1S/C12H17NO4S/c14-10(9-2-1-5-17-9)13-8(12(15)16)6-18-11(13)7-3-4-7/h7-9,11H,1-6H2,(H,15,16)/t8?,9-,11?/m1/s1
InChIKeyDLMXBHHFBXKFOP-INWMGODYSA-N
MW271.34 g/mol
LogP0.93
Rot. Bonds3

About 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104855708) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID104855708
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)[C@H]1CCCO1
InChIInChI=1S/C12H17NO4S/c14-10(9-2-1-5-17-9)13-8(12(15)16)6-18-11(13)7-3-4-7/h7-9,11H,1-6H2,(H,15,16)/t8?,9-,11?/m1/s1
InChIKeyDLMXBHHFBXKFOP-INWMGODYSA-N
XLogP0.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781031
2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235134
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236298
2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102779476
oxolane-2-carboxylic acid;silver
CID 160678639
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 83019725
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 79853620
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R)-oxolan-2-yl]methanone
CID 103850249
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 104855708) is 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DLMXBHHFBXKFOP-INWMGODYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-10(9-2-1-5-17-9)13-8(12(15)16)6-18-11(13)7-3-4-7/h7-9,11H,1-6H2,(H,15,16)/t8?,9-,11?/m1/s1.
What are the key properties of 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104855708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).