(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid

C9H13N3O4S — CID 107823345

IUPAC(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCc1nnsc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-5-7(17-12-11-5)8(14)10-6(3-4-13)9(15)16/h6,13H,2-4H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1
InChIKeyXZILYVURMPAHQQ-ZCFIWIBFSA-N
MW259.29 g/mol
LogP-0.33
Rot. Bonds6

About (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107823345) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107823345
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCc1nnsc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-2-5-7(17-12-11-5)8(14)10-6(3-4-13)9(15)16/h6,13H,2-4H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1
InChIKeyXZILYVURMPAHQQ-ZCFIWIBFSA-N
XLogP-0.33
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
(2S)-2-[[2-[(4-ethylthiadiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694717
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329
2-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid (CID 107823345) is (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid is CCc1nnsc1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is XZILYVURMPAHQQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-5-7(17-12-11-5)8(14)10-6(3-4-13)9(15)16/h6,13H,2-4H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 259.29 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).