methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate

C10H13NO4S2 — CID 103958096

IUPACmethyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)CSc1cccs1
InChIInChI=1S/C10H13NO4S2/c1-15-10(14)7(12)5-11-8(13)6-17-9-3-2-4-16-9/h2-4,7,12H,5-6H2,1H3,(H,11,13)
InChIKeyCJYWWTBVRBSQNL-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.49
Rot. Bonds6

About methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate

methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate (PubChem CID 103958096) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate
PubChem CID103958096
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Namemethyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)CSc1cccs1
InChIInChI=1S/C10H13NO4S2/c1-15-10(14)7(12)5-11-8(13)6-17-9-3-2-4-16-9/h2-4,7,12H,5-6H2,1H3,(H,11,13)
InChIKeyCJYWWTBVRBSQNL-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-thiophen-2-ylsulfanylacetyl)amino]methyl]pentanoic acid
CID 65223064
methyl 2-hydroxy-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 103957996
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
(2S)-5-ethoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107039101
2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
CID 43358392
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate (CID 103958096) is methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate is COC(=O)C(O)CNC(=O)CSc1cccs1.
What is the InChIKey of methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate?
The InChIKey is CJYWWTBVRBSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-15-10(14)7(12)5-11-8(13)6-17-9-3-2-4-16-9/h2-4,7,12H,5-6H2,1H3,(H,11,13).
What are the key properties of methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate?
methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoate is sourced from PubChem (CID 103958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).