(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid

C12H12N2O4S — CID 61143353

IUPAC(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C1NC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CS1
InChIInChI=1S/C12H12N2O4S/c15-10(8-6-19-12(18)13-8)14-9(11(16)17)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,18)(H,14,15)(H,16,17)/t8?,9-/m1/s1
InChIKeyACCRUFXXOBVTNH-YGPZHTELSA-N
MW280.31 g/mol
LogP0.75
Rot. Bonds4

About (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61143353) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID61143353
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
SMILESO=C1NC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CS1
InChIInChI=1S/C12H12N2O4S/c15-10(8-6-19-12(18)13-8)14-9(11(16)17)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,18)(H,14,15)(H,16,17)/t8?,9-/m1/s1
InChIKeyACCRUFXXOBVTNH-YGPZHTELSA-N
XLogP0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 129423802
(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 99847856
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
3-(4-hydroxyphenyl)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 43102486
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124614611
(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
CID 113265156
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 122144017
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
N-[1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 75375667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid (CID 61143353) is (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid is O=C1NC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CS1.
What is the InChIKey of (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is ACCRUFXXOBVTNH-YGPZHTELSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10(8-6-19-12(18)13-8)14-9(11(16)17)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,18)(H,14,15)(H,16,17)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 280.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61143353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).