(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid

C8H11NO2S2 — CID 69098628

IUPAC(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
SMILESCN[C@@H](CSc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S2/c1-9-6(8(10)11)5-13-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIFLJSUCSAHERDF-LURJTMIESA-N
MW217.31 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid

(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid (PubChem CID 69098628) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
PubChem CID69098628
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Name(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
SMILESCN[C@@H](CSc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S2/c1-9-6(8(10)11)5-13-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyIFLJSUCSAHERDF-LURJTMIESA-N
XLogP1.51
TPSA49.33 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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
(2S)-4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821680
4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 61244401
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
CID 63034813
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
(2R)-2-[(1R)-1-hydroxy-2-thiophen-2-ylsulfanylethyl]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 59104901
(2S)-5-ethoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107039101
3-[ethyl-(2-thiophen-2-ylsulfanylacetyl)amino]-2-methylpropanoic acid
CID 62827236
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoic acid
CID 62269637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid (CID 69098628) is (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid is CN[C@@H](CSc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid?
The InChIKey is IFLJSUCSAHERDF-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2S2/c1-9-6(8(10)11)5-13-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid?
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 69098628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).