3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid

C11H20N2O3S — CID 61158002

IUPAC3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCCCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c12-6-4-2-1-3-5-10(14)13-8-17-7-9(13)11(15)16/h9H,1-8,12H2,(H,15,16)
InChIKeyFCVOREULINEZKU-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.88
Rot. Bonds7

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

3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61158002) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61158002
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCCCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c12-6-4-2-1-3-5-10(14)13-8-17-7-9(13)11(15)16/h9H,1-8,12H2,(H,15,16)
InChIKeyFCVOREULINEZKU-UHFFFAOYSA-N
XLogP0.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.88
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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Related Compounds

(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419

Frequently Asked Questions

What is the IUPAC name of 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61158002) is 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid is NCCCCCCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FCVOREULINEZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-6-4-2-1-3-5-10(14)13-8-17-7-9(13)11(15)16/h9H,1-8,12H2,(H,15,16).
What are the key properties of 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61158002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).