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

C10H16N2O3S — CID 61158757

IUPAC3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCNC1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(3-4-11-7-1-2-7)12-6-16-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeySIHDDGDRLAFGKV-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.11
Rot. Bonds5

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

3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61158757) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61158757
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCNC1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(3-4-11-7-1-2-7)12-6-16-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeySIHDDGDRLAFGKV-UHFFFAOYSA-N
XLogP0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
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-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
(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-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61158757) is 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SIHDDGDRLAFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(3-4-11-7-1-2-7)12-6-16-5-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15).
What are the key properties of 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61158757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).