(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid

C12H13ClN2O3S — CID 107315327

IUPAC(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CSCN1
InChIInChI=1S/C12H13ClN2O3S/c13-8-4-2-1-3-7(8)10(12(17)18)15-11(16)9-5-19-6-14-9/h1-4,9-10,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-/m1/s1
InChIKeyOGLZZDQYXNKRDM-QVDQXJPCSA-N
MW300.77 g/mol
LogP1.24
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid (PubChem CID 107315327) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
PubChem CID107315327
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CSCN1
InChIInChI=1S/C12H13ClN2O3S/c13-8-4-2-1-3-7(8)10(12(17)18)15-11(16)9-5-19-6-14-9/h1-4,9-10,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-/m1/s1
InChIKeyOGLZZDQYXNKRDM-QVDQXJPCSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 107315934
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid (CID 107315327) is (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CSCN1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The InChIKey is OGLZZDQYXNKRDM-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c13-8-4-2-1-3-7(8)10(12(17)18)15-11(16)9-5-19-6-14-9/h1-4,9-10,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid has a molecular weight of 300.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid is sourced from PubChem (CID 107315327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).