(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid

C8H11NO2S2 — CID 36690947

IUPAC(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
SMILESN[C@H](CSCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S2/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1
InChIKeySYRYKNATHQOKRT-SSDOTTSWSA-N
MW217.31 g/mol
LogP1.39
Rot. Bonds5

About (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid

(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid (PubChem CID 36690947) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
PubChem CID36690947
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Name(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
SMILESN[C@H](CSCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S2/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1
InChIKeySYRYKNATHQOKRT-SSDOTTSWSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 61142490
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
(2S)-2-amino-3-(1,3-thiazol-5-ylmethylsulfanyl)propanoic acid
CID 107773520
4,4-dimethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]pentanoic acid
CID 107474120
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
2-amino-4-[bis(thiophen-2-ylmethyl)amino]butanoic acid
CID 170716918
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773244
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
2-[1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]azetidin-3-yl]propanoic acid
CID 116681342
2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 107434133
(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 61142277

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid (CID 36690947) is (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid is N[C@H](CSCc1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid?
The InChIKey is SYRYKNATHQOKRT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO2S2/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid?
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 36690947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).