3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

C8H14N2O3S — CID 21299104

IUPAC3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCC1NC(C(=O)NCCC(=O)O)CS1
InChIInChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(13)9-3-2-7(11)12/h5-6,10H,2-4H2,1H3,(H,9,13)(H,11,12)
InChIKeyCTTSEMHMCVZNPN-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.37
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (PubChem CID 21299104) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
PubChem CID21299104
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCC1NC(C(=O)NCCC(=O)O)CS1
InChIInChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(13)9-3-2-7(11)12/h5-6,10H,2-4H2,1H3,(H,9,13)(H,11,12)
InChIKeyCTTSEMHMCVZNPN-UHFFFAOYSA-N
XLogP-0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (CID 21299104) is 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is CC1NC(C(=O)NCCC(=O)O)CS1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The InChIKey is CTTSEMHMCVZNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(13)9-3-2-7(11)12/h5-6,10H,2-4H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid has a molecular weight of 218.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 21299104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).