(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid

C8H14N2O4S — CID 107825017

IUPAC(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)C1CSCN1
InChIInChI=1S/C8H14N2O4S/c11-2-1-5(8(13)14)10-7(12)6-3-15-4-9-6/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5-,6?/m0/s1
InChIKeyCSCYVYUOXFCQSF-ZBHICJROSA-N
MW234.28 g/mol
LogP-1.40
Rot. Bonds5

About (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid

(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid (PubChem CID 107825017) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
PubChem CID107825017
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)C1CSCN1
InChIInChI=1S/C8H14N2O4S/c11-2-1-5(8(13)14)10-7(12)6-3-15-4-9-6/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5-,6?/m0/s1
InChIKeyCSCYVYUOXFCQSF-ZBHICJROSA-N
XLogP-1.40
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic 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

(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107824460
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid (CID 107825017) is (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid is O=C(N[C@@H](CCO)C(=O)O)C1CSCN1.
What is the InChIKey of (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The InChIKey is CSCYVYUOXFCQSF-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-2-1-5(8(13)14)10-7(12)6-3-15-4-9-6/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5-,6?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid has a molecular weight of 234.28 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 107825017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).