(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C9H16N2O3S — CID 62837022

IUPAC(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCNCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-2-10-4-3-8(12)11-6-15-5-7(11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPCFKNMJBMBOBRG-ZETCQYMHSA-N
MW232.30 g/mol
LogP-0.03
Rot. Bonds5

About (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62837022) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62837022
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCNCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-2-10-4-3-8(12)11-6-15-5-7(11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPCFKNMJBMBOBRG-ZETCQYMHSA-N
XLogP-0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.03
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-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837991
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103
(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62837022) is (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CCNCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PCFKNMJBMBOBRG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-10-4-3-8(12)11-6-15-5-7(11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62837022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).