(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C8H12N2O3S — CID 61187556

IUPAC(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NC1CC1
InChIInChI=1S/C8H12N2O3S/c11-7(12)6-3-14-4-10(6)8(13)9-5-1-2-5/h5-6H,1-4H2,(H,9,13)(H,11,12)/t6-/m0/s1
InChIKeyQJXYOPORHMWCHG-LURJTMIESA-N
MW216.26 g/mol
LogP0.32
Rot. Bonds2

About (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61187556) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61187556
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NC1CC1
InChIInChI=1S/C8H12N2O3S/c11-7(12)6-3-14-4-10(6)8(13)9-5-1-2-5/h5-6H,1-4H2,(H,9,13)(H,11,12)/t6-/m0/s1
InChIKeyQJXYOPORHMWCHG-LURJTMIESA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62317267
(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79878773
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404
4-[(1,1-dioxothian-4-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904143
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62316205
3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62365751
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61187556) is (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NC1CC1.
What is the InChIKey of (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QJXYOPORHMWCHG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-7(12)6-3-14-4-10(6)8(13)9-5-1-2-5/h5-6H,1-4H2,(H,9,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61187556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).