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

C13H23NO3S — CID 61143444

IUPAC(4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H23NO3S/c1-2-3-4-5-6-7-8-12(15)14-10-18-9-11(14)13(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyQSRYNOZRIXIFMS-NSHDSACASA-N
MW273.40 g/mol
LogP2.72
Rot. Bonds8

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

(4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143444) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143444
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name(4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H23NO3S/c1-2-3-4-5-6-7-8-12(15)14-10-18-9-11(14)13(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyQSRYNOZRIXIFMS-NSHDSACASA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Butanoyl-1,3-thiazolidine-4-carboxylic acid
CID 17978710
(4R)-3-acetyl-2-undecyl-1,3-thiazolidine-4-carboxylic acid
CID 2727681
3-Acetyl-2-undecyl-1,3-thiazolidine-4-carboxylic acid
CID 3734987
(4R)-2,2-dimethyl-3-(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24808865
(4R)-2,2-dimethyl-3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 25187609
N-(5-(1,2-Dithiolan-3-yl)valeryl)-dl-methionine
CID 591494
2,2-Dimethyl-3-octanoyl-1,3-thiazolidine-4-carboxylic acid
CID 91713211
(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 12837129
2-(5-Heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 15665779
2-(5-Butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 15665780
2-[5-(Dithiolan-3-yl)pentanoyl-methylamino]acetic acid
CID 18358018
1-(11-Ethylsulfanylundecanoyl)pyrrolidine-2-carboxylic acid
CID 19737362

Frequently Asked Questions

What is the IUPAC name of (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid (CID 61143444) is (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid is CCCCCCCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QSRYNOZRIXIFMS-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3S/c1-2-3-4-5-6-7-8-12(15)14-10-18-9-11(14)13(16)17/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).