(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O4S — CID 55013512

IUPAC(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCC1CCCCO1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-3-1-2-4-17-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyNMXJQUKTNLSUPT-GKAPJAKFSA-N
MW274.34 g/mol
LogP0.72
Rot. Bonds3

About (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55013512) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55013512
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCC1CCCCO1
InChIInChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-3-1-2-4-17-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m0/s1
InChIKeyNMXJQUKTNLSUPT-GKAPJAKFSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55012035
2-ethyl-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779576
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
CID 63646163
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 55013512) is (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCC1CCCCO1.
What is the InChIKey of (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NMXJQUKTNLSUPT-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-10(15)9-6-18-7-13(9)11(16)12-5-8-3-1-2-4-17-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55013512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).