(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O3S — CID 61161160

IUPAC(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S/c11-5-3-1-2-4-9(13)12-7-16-6-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m0/s1
InChIKeyJNZTZJQNNKJMAV-QMMMGPOBSA-N
MW246.33 g/mol
LogP0.49
Rot. Bonds6

About (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61161160) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61161160
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S/c11-5-3-1-2-4-9(13)12-7-16-6-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m0/s1
InChIKeyJNZTZJQNNKJMAV-QMMMGPOBSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.49
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

3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
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-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
(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 (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61161160) is (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid is NCCCCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JNZTZJQNNKJMAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-5-3-1-2-4-9(13)12-7-16-6-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).