(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid

C11H14N2O5S — CID 107834928

IUPAC(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
SMILESO=C(CNC(=O)c1cccs1)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H14N2O5S/c14-7(11(17)18)3-4-12-9(15)6-13-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyPUNIDYGXZMRXHR-ZETCQYMHSA-N
MW286.31 g/mol
LogP-0.57
Rot. Bonds7

About (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid (PubChem CID 107834928) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
PubChem CID107834928
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
SMILESO=C(CNC(=O)c1cccs1)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H14N2O5S/c14-7(11(17)18)3-4-12-9(15)6-13-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyPUNIDYGXZMRXHR-ZETCQYMHSA-N
XLogP-0.57
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 35617769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid (CID 107834928) is (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid is O=C(CNC(=O)c1cccs1)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid?
The InChIKey is PUNIDYGXZMRXHR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-7(11(17)18)3-4-12-9(15)6-13-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 107834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).