(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid

C8H9N3O5S — CID 61153025

IUPAC(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C8H9N3O5S/c12-6(13)2-1-4(8(15)16)10-7(14)5-3-9-17-11-5/h3-4H,1-2H2,(H,10,14)(H,12,13)(H,15,16)/t4-/m0/s1
InChIKeySYJCRCOFEHZTPD-BYPYZUCNSA-N
MW259.24 g/mol
LogP-0.41
Rot. Bonds6

About (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid

(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid (PubChem CID 61153025) has the molecular formula C8H9N3O5S and a molecular weight of 259.24 g/mol. Its IUPAC name is (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
PubChem CID61153025
Molecular FormulaC8H9N3O5S
Molecular Weight259.24 g/mol
Exact Mass259.03
IUPAC Name(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C8H9N3O5S/c12-6(13)2-1-4(8(15)16)10-7(14)5-3-9-17-11-5/h3-4H,1-2H2,(H,10,14)(H,12,13)(H,15,16)/t4-/m0/s1
InChIKeySYJCRCOFEHZTPD-BYPYZUCNSA-N
XLogP-0.41
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-4-oxo-2-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 43522543
(2S)-3-(4-hydroxyphenyl)-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 61152385
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
CID 61152011
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
CID 114006173
(2R)-2-[(5-nitro-1,3-thiazole-2-carbonyl)amino]pentanedioic acid
CID 67866045
(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
CID 107497570
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid (CID 61153025) is (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)c1cnsn1)C(=O)O.
What is the InChIKey of (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid?
The InChIKey is SYJCRCOFEHZTPD-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9N3O5S/c12-6(13)2-1-4(8(15)16)10-7(14)5-3-9-17-11-5/h3-4H,1-2H2,(H,10,14)(H,12,13)(H,15,16)/t4-/m0/s1.
What are the key properties of (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid?
(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid has a molecular weight of 259.24 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid is sourced from PubChem (CID 61153025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).