(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid

C10H11NO5S2 — CID 71402009

IUPAC(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(O)CSC[C@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H11NO5S2/c12-8(13)5-17-4-6(10(15)16)11-9(14)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,11,14)(H,12,13)(H,15,16)/t6-/m0/s1
InChIKeyMDXISJICTJSESP-LURJTMIESA-N
MW289.33 g/mol
LogP0.75
Rot. Bonds7

About (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid

(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 71402009) has the molecular formula C10H11NO5S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
PubChem CID71402009
Molecular FormulaC10H11NO5S2
Molecular Weight289.33 g/mol
Exact Mass289.01
IUPAC Name(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(O)CSC[C@H](NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H11NO5S2/c12-8(13)5-17-4-6(10(15)16)11-9(14)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,11,14)(H,12,13)(H,15,16)/t6-/m0/s1
InChIKeyMDXISJICTJSESP-LURJTMIESA-N
XLogP0.75
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 106931658
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
CID 3703384
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
CID 3042859
2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]butanoic acid
CID 119223879

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid (CID 71402009) is (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid is O=C(O)CSC[C@H](NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is MDXISJICTJSESP-LURJTMIESA-N. The full InChI is InChI=1S/C10H11NO5S2/c12-8(13)5-17-4-6(10(15)16)11-9(14)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,11,14)(H,12,13)(H,15,16)/t6-/m0/s1.
What are the key properties of (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid?
(2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(carboxymethylsulfanyl)-2-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 71402009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).