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

C12H19NO5S — CID 12837129

IUPAC(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)CCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H19NO5S/c14-10(5-3-1-2-4-6-11(15)16)13-8-19-7-9(13)12(17)18/h9H,1-8H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeySQZZGGUCTIVKEY-VIFPVBQESA-N
MW289.35 g/mol
LogP1.40
Rot. Bonds8

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

(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 12837129) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID12837129
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)CCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H19NO5S/c14-10(5-3-1-2-4-6-11(15)16)13-8-19-7-9(13)12(17)18/h9H,1-8H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeySQZZGGUCTIVKEY-VIFPVBQESA-N
XLogP1.40
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 12837129) is (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)CCCCCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SQZZGGUCTIVKEY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO5S/c14-10(5-3-1-2-4-6-11(15)16)13-8-19-7-9(13)12(17)18/h9H,1-8H2,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 289.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(7-carboxyheptanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 12837129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).