(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid

C7H10N4O3S — CID 94520801

IUPAC(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14)/t4-/m0/s1
InChIKeyYBNUSGNLFUQWKO-BYPYZUCNSA-N
MW230.25 g/mol
LogP0.47
Rot. Bonds3

About (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid

(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 94520801) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
PubChem CID94520801
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14)/t4-/m0/s1
InChIKeyYBNUSGNLFUQWKO-BYPYZUCNSA-N
XLogP0.47
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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CID 61192145
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CID 61192255
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CID 61192256
CID 61192256
CID 61192359
CID 61192359
CID 61192361
CID 61192361
CID 61192362
CID 61192362
CID 61192470
CID 61192470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid (CID 94520801) is (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is YBNUSGNLFUQWKO-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-4(5(12)13)11(2)7(14)9-6-10-8-3-15-6/h3-4H,1-2H3,(H,12,13)(H,9,10,14)/t4-/m0/s1.
What are the key properties of (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid?
(2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 94520801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).