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

C10H18N2O3S — CID 62837991

IUPAC3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(C)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-11-7(2)4-9(13)12-6-16-5-8(12)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyWCRTUOHLJNQEQN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.36
Rot. Bonds5

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

3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62837991) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62837991
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(C)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-11-7(2)4-9(13)12-6-16-5-8(12)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyWCRTUOHLJNQEQN-UHFFFAOYSA-N
XLogP0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
3-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 82962457
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62837991) is 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid is CCNC(C)CC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WCRTUOHLJNQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-11-7(2)4-9(13)12-6-16-5-8(12)10(14)15/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62837991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).