(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H18N2O5S — CID 113450706

IUPAC(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOC1(CNC(=O)N2CSC[C@H]2C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5S/c1-17-11(2-3-18-6-11)5-12-10(16)13-7-19-4-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyGUNZMWCFDFIYAM-YMNIQAILSA-N
MW290.34 g/mol
LogP-0.04
Rot. Bonds4

About (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 113450706) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID113450706
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOC1(CNC(=O)N2CSC[C@H]2C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5S/c1-17-11(2-3-18-6-11)5-12-10(16)13-7-19-4-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyGUNZMWCFDFIYAM-YMNIQAILSA-N
XLogP-0.04
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102783026
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 104706035
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391339
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
potassium 1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-phenylpyrrolidine-2-carboxylate
CID 167840009
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994602
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 113450706) is (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is COC1(CNC(=O)N2CSC[C@H]2C(=O)O)CCOC1.
What is the InChIKey of (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GUNZMWCFDFIYAM-YMNIQAILSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-17-11(2-3-18-6-11)5-12-10(16)13-7-19-4-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15)/t8-,11?/m0/s1.
What are the key properties of (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 113450706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).