(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid

C10H13NO3S2 — CID 78972918

IUPAC(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CSCc1cccs1)C(=O)O
InChIInChI=1S/C10H13NO3S2/c1-7(10(13)14)11-9(12)6-15-5-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyXQXLVJIETZCSEU-SSDOTTSWSA-N
MW259.35 g/mol
LogP1.57
Rot. Bonds6

About (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid

(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid (PubChem CID 78972918) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
PubChem CID78972918
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CSCc1cccs1)C(=O)O
InChIInChI=1S/C10H13NO3S2/c1-7(10(13)14)11-9(12)6-15-5-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyXQXLVJIETZCSEU-SSDOTTSWSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
(2S)-5-methoxy-5-oxo-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pentanoic acid
CID 107820283
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103945338
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
4,4-dimethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]pentanoic acid
CID 107474120
2-hydroxy-2-methyl-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 66171992
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
2-ethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]butanoic acid
CID 115429786
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]azetidin-3-yl]propanoic acid
CID 116681342
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid (CID 78972918) is (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)CSCc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid?
The InChIKey is XQXLVJIETZCSEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-7(10(13)14)11-9(12)6-15-5-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 78972918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).