(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H17N3O3S — CID 63779001

IUPAC(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCN1CCN(C(=O)N2CSC[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O3S/c1-15-6-7-16(11-5-3-2-4-10(11)15)14(20)17-9-21-8-12(17)13(18)19/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWCTJDZDHTJNIMT-LBPRGKRZSA-N
MW307.38 g/mol
LogP1.52
Rot. Bonds1

About (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779001) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779001
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCN1CCN(C(=O)N2CSC[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O3S/c1-15-6-7-16(11-5-3-2-4-10(11)15)14(20)17-9-21-8-12(17)13(18)19/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWCTJDZDHTJNIMT-LBPRGKRZSA-N
XLogP1.52
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63779001) is (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CN1CCN(C(=O)N2CSC[C@H]2C(=O)O)c2ccccc21.
What is the InChIKey of (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WCTJDZDHTJNIMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-6-7-16(11-5-3-2-4-10(11)15)14(20)17-9-21-8-12(17)13(18)19/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).