(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid

C13H15NO3S — CID 113265156

IUPAC(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)C1CCCS1
InChIInChI=1S/C13H15NO3S/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
InChIKeySSNKKEBWZCRJLD-DTIOYNMSSA-N
MW265.33 g/mol
LogP1.82
Rot. Bonds4

About (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid

(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid (PubChem CID 113265156) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
PubChem CID113265156
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)C1CCCS1
InChIInChI=1S/C13H15NO3S/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
InChIKeySSNKKEBWZCRJLD-DTIOYNMSSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-phenyl-2-(thiolane-2-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-(thiane-2-carbonylamino)acetic acid
CID 104897044
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
N-(2-chloro-2-phenylethyl)thiane-2-carboxamide
CID 113271386
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
CID 61143353
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
2-[(1,1-dioxothiane-2-carbonyl)amino]-2-phenylacetic acid
CID 104517425
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid?
The IUPAC name of (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid (CID 113265156) is (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)C1CCCS1.
What is the InChIKey of (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid?
The InChIKey is SSNKKEBWZCRJLD-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid?
(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid has a molecular weight of 265.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid is sourced from PubChem (CID 113265156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).