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

C8H15ClN2O3S — CID 21299106

IUPAC3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride
SMILESCC1NC(C(=O)NCCC(=O)O)CS1.Cl
InChIInChI=1S/C8H14N2O3S.ClH/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);1H
InChIKeyBTOKFINPCIUCQM-UHFFFAOYSA-N
MW254.74 g/mol
LogP0.05
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride (PubChem CID 21299106) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride
PubChem CID21299106
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Name3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride
SMILESCC1NC(C(=O)NCCC(=O)O)CS1.Cl
InChIInChI=1S/C8H14N2O3S.ClH/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);1H
InChIKeyBTOKFINPCIUCQM-UHFFFAOYSA-N
XLogP0.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 50.05
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;hydrochloride?
The IUPAC name of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride (CID 21299106) is 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride is CC1NC(C(=O)NCCC(=O)O)CS1.Cl.
What is the InChIKey of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride?
The InChIKey is BTOKFINPCIUCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S.ClH/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);1H.
What are the key properties of 3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride?
3-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of 0.05, 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;hydrochloride is sourced from PubChem (CID 21299106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).