(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid

C13H15ClN2O3S — CID 107315934

IUPAC(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCSCC1)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)15-13(19)16-5-7-20-8-6-16/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyFUQQYYYYFOQEQI-LLVKDONJSA-N
MW314.79 g/mol
LogP2.22
Rot. Bonds3

About (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid (PubChem CID 107315934) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
PubChem CID107315934
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCSCC1)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)15-13(19)16-5-7-20-8-6-16/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyFUQQYYYYFOQEQI-LLVKDONJSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic 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-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
CID 107315327
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
CID 107316089
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
CID 107314795
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid (CID 107315934) is (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid is O=C(O)[C@H](NC(=O)N1CCSCC1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid?
The InChIKey is FUQQYYYYFOQEQI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)15-13(19)16-5-7-20-8-6-16/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid has a molecular weight of 314.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid is sourced from PubChem (CID 107315934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).