2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid

C10H10N2O5S — CID 607768

IUPAC2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(O)c([N+](=O)[O-])c2)S1
InChIInChI=1S/C10H10N2O5S/c13-7-2-1-5(3-6(7)12(16)17)9-11-4-8(18-9)10(14)15/h1-3,8-9,11,13H,4H2,(H,14,15)
InChIKeyCEEHWPZUKGACGX-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.09
Rot. Bonds3

About 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid

2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid (PubChem CID 607768) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid
PubChem CID607768
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(O)c([N+](=O)[O-])c2)S1
InChIInChI=1S/C10H10N2O5S/c13-7-2-1-5(3-6(7)12(16)17)9-11-4-8(18-9)10(14)15/h1-3,8-9,11,13H,4H2,(H,14,15)
InChIKeyCEEHWPZUKGACGX-UHFFFAOYSA-N
XLogP1.09
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-aziridin-2-yl]-2-nitrophenol
CID 55263727
4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
4-cyclopropyl-2-nitrophenol
CID 12608020
9-(4-hydroxy-3-nitrophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126040198
(2S,4S)-2-(4-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 671609
3-(4-hydroxy-3-nitrophenyl)-3H-2-benzofuran-1-one
CID 69256611
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
(4S)-4-(4-hydroxy-3-nitrophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186271
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691750
azane;2,4-dinitrophenol;hydrate
CID 174664401
(4R)-5,5-difluoro-4-(4-hydroxy-3-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187726

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid (CID 607768) is 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid is O=C(O)C1CNC(c2ccc(O)c([N+](=O)[O-])c2)S1.
What is the InChIKey of 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is CEEHWPZUKGACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c13-7-2-1-5(3-6(7)12(16)17)9-11-4-8(18-9)10(14)15/h1-3,8-9,11,13H,4H2,(H,14,15).
What are the key properties of 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid?
2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 607768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).