(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H26N2O3S — CID 107817207

IUPAC(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O3S/c1-11(2)7-5-3-4-6-8-15-14(19)16-10-20-9-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyITYXMOVAAQSEOB-LBPRGKRZSA-N
MW302.44 g/mol
LogP2.76
Rot. Bonds8

About (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107817207) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107817207
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O3S/c1-11(2)7-5-3-4-6-8-15-14(19)16-10-20-9-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyITYXMOVAAQSEOB-LBPRGKRZSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54968091
(4R)-3-(4-methylsulfanylbutan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104864312
(4R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 107817207) is (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)CCCCCCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ITYXMOVAAQSEOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11(2)7-5-3-4-6-8-15-14(19)16-10-20-9-12(16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).