(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid

C7H14N2O2S — CID 24804687

IUPAC(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCC1N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H14N2O2S/c8-3-1-2-6-9-5(4-12-6)7(10)11/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6?/m0/s1
InChIKeyHIHAQDKYKHNINS-ZBHICJROSA-N
MW190.27 g/mol
LogP-0.16
Rot. Bonds4

About (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24804687) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24804687
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCCC1N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H14N2O2S/c8-3-1-2-6-9-5(4-12-6)7(10)11/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6?/m0/s1
InChIKeyHIHAQDKYKHNINS-ZBHICJROSA-N
XLogP-0.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid (CID 24804687) is (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid is NCCCC1N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HIHAQDKYKHNINS-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14N2O2S/c8-3-1-2-6-9-5(4-12-6)7(10)11/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6?/m0/s1.
What are the key properties of (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 190.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24804687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).