Formula |
C8H15NO3S |
IUPAC Name |
3-[(3-methyl-3-sulfanyl-butanoyl)amino]propanoic acid |
Molecular Mass |
205.275 g·mol−1 |
Heat of Formation |
-692.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.84 ± 1.08 D |
Volume |
251.86 Å 3 |
Surface Area |
224.95 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
2.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[(3-mercapto-3-methyl-1-oxobutyl)amino]propanoic acid
- 3-[(3-mercapto-3-methyl-butanoyl)amino]propionic acid
- 3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
- 3-tmba
- beta-alanine, n-(3-mercapto-3-methyl-1-oxobutyl)-
- n-(3-mercapto-3-methyl-1-oxobutyl)-beta-alanine
- n-(3-mercapto-3-methylbutyryl)-beta-alanine
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CAS Number(s) |
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InChIKey |
QMPIELCZGATVNY-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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